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Pyrazolo[3,4-d]pyrimidines
Description:
Aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.
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3-Bromo-1-(tert-butyl)-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 862728-61-8 Compound CID: 58597145Formula: C9H12BrN5 Molecular Weight: 270.13IUPAC Name: 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amineSMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)Br)NInChIKey: SOSYGGKAIVNKLX-UHFFFAOYSA-NInChI: InChI=1S/C9H12BrN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13) -
1H-Pyrazolo[3，4-d]pyrimidin-6-amineCas Number: 287177-82-6 Compound CID: 19692156Formula: C5H5N5 Molecular Weight: 135.13IUPAC Name: 1H-pyrazolo[3,4-d]pyrimidin-6-amineSMILES: C1=C2C=NNC2=NC(=N1)NInChIKey: SMXRCJBCWRHDJE-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H3,6,7,8,9,10)
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6-Chloro-3-methyl-1H-pyrazolo[3，4-d]pyrimidineCas Number: 871254-63-6 Compound CID: 17569283Formula: C6H5ClN4 Molecular Weight: 168.58SMILES: CC1=C2C=NC(=NC2=NN1)ClInChIKey: GAIAJUYBHMCMHP-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN4/c1-3-4-2-8-6(7)9-5(4)11-10-3/h2H,1H3,(H,8,9,10,11)
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4，6-Dichloro-1-isopropyl-1H-pyrazolo[3，4-d]pyrimidineCas Number: 21254-22-8 Compound CID: 42609352Formula: C8H8Cl2N4 Molecular Weight: 231.08IUPAC Name: 4,6-dichloro-1-propan-2-ylpyrazolo[3,4-d]pyrimidineSMILES: CC(C)N1C2=C(C=N1)C(=NC(=N2)Cl)ClInChIKey: SHTPXXJWYCEZPN-UHFFFAOYSA-NInChI: InChI=1S/C8H8Cl2N4/c1-4(2)14-7-5(3-11-14)6(9)12-8(10)13-7/h3-4H,1-2H3
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1-Cyclopentyl-3-iodo-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 330794-31-5 Compound CID: 22346808Formula: C10H12IN5 Molecular Weight: 329.14IUPAC Name: 1-cyclopentyl-3-iodopyrazolo[3,4-d]pyrimidin-4-amineSMILES: C1CCC(C1)N2C3=NC=NC(=C3C(=N2)I)NInChIKey: KNIKEMBOLNWAAC-UHFFFAOYSA-NInChI: InChI=1S/C10H12IN5/c11-8-7-9(12)13-5-14-10(7)16(15-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14)
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N，1-Dimethyl-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 5334-49-6 Compound CID: 219753Formula: C7H9N5 Molecular Weight: 163.18IUPAC Name: N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amineSMILES: CNC1=C2C=NN(C2=NC=N1)CInChIKey: KOTSAGHCUMHESG-UHFFFAOYSA-NInChI: InChI=1S/C7H9N5/c1-8-6-5-3-11-12(2)7(5)10-4-9-6/h3-4H,1-2H3,(H,8,9,10)
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6-chloro-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 5417-78-7 Compound CID: 223686Formula: C5H4ClN5 Molecular Weight: 169.57IUPAC Name: 6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-amineSMILES: C1=NNC2=NC(=NC(=C21)N)ClInChIKey: BRZGPZOZVWMCDL-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClN5/c6-5-9-3(7)2-1-8-11-4(2)10-5/h1H,(H3,7,8,9,10,11)
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4-chloro-1-methyl-1H-pyrazolo[3，4-d]pyrimidin-6-amineCas Number: 100644-66-4 Compound CID: 20785205Formula: C6H6ClN5 Molecular Weight: 183.6IUPAC Name: 4-chloro-1-methylpyrazolo[3,4-d]pyrimidin-6-amineSMILES: CN1C2=C(C=N1)C(=NC(=N2)N)ClInChIKey: LSZNUJWHYLMPRG-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClN5/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3,(H2,8,10,11)
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1H-Pyrazolo[3，4-d]pyrimidine-4，6-diamineCas Number: 5413-80-9 Compound CID: 222233Formula: C5H6N6 Molecular Weight: 150.14IUPAC Name: 1H-pyrazolo[3,4-d]pyrimidine-4,6-diamineSMILES: C1=NNC2=NC(=NC(=C21)N)NInChIKey: NXSAXOJMBFFHSG-UHFFFAOYSA-NInChI: InChI=1S/C5H6N6/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H5,6,7,8,9,10,11)
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1-methyl-1H-pyrazolo[3，4-d]pyrimidin-4-amineCas Number: 5334-99-6 Compound CID: 94753Formula: C6H7N5 Molecular Weight: 149.16IUPAC Name: 1-methylpyrazolo[3,4-d]pyrimidin-4-amineSMILES: CN1C2=NC=NC(=C2C=N1)NInChIKey: JBMTUXVKTGBMLE-UHFFFAOYSA-NInChI: InChI=1S/C6H7N5/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)
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4-chloro-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrileCas Number: 1004991-91-6 Compound CID: 71699945Formula: C6H2ClN5 Molecular Weight: 179.57IUPAC Name: 4-chloro-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrileSMILES: C1=NC2=NNC(=C2C(=N1)Cl)C#NInChIKey: HDQMAUCEIIBYOL-UHFFFAOYSA-NInChI: InChI=1S/C6H2ClN5/c7-5-4-3(1-8)11-12-6(4)10-2-9-5/h2H,(H,9,10,11,12)
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3-bromo-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidineCas Number: 1240526-73-1 Compound CID: 47003144Formula: C6H4BrClN4 Molecular Weight: 247.48SMILES: CN1C2=C(C(=NC=N2)Cl)C(=N1)BrInChIKey: FVGVGUBKQFIPMD-UHFFFAOYSA-NInChI: InChI=1S/C6H4BrClN4/c1-12-6-3(4(7)11-12)5(8)9-2-10-6/h2H,1H3
