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Imidazopyrimidines
Description:
Organic polycyclic compounds containing an imidazole ring fused to a pyrimidine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Ancestors:
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6-Methyl-1H-purin-2-amineCas Number: 1681-10-3Formula: C6H7N5 Molecular Weight: 149.15IUPAC Name: 6-methyl-7H-purin-2-amineSMILES: CC1=C2C(=NC(=N1)N)N=CN2InChIKey: AFWWNHLDHNSVSD-UHFFFAOYSA-NInChI: InChI=1S/C6H7N5/c1-3-4-5(9-2-8-4)11-6(7)10-3/h2H,1H3,(H3,7,8,9,10,11) -
6-Chloro-1H-purine-2-sulfonyl fluorideCas Number: 2706-92-5 Compound CID: 6291642Formula: C5H2ClFN4O2S Molecular Weight: 236.61IUPAC Name: 6-chloro-7H-purine-2-sulfonyl fluorideSMILES: C1=NC2=C(N1)C(=NC(=N2)S(=O)(=O)F)ClInChIKey: QVUAWHQMKAWAFB-UHFFFAOYSA-NInChI: InChI=1S/C5H2ClFN4O2S/c6-3-2-4(9-1-8-2)11-5(10-3)14(7,12)13/h1H,(H,8,9,10,11)
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6-Chloro-2-(trifluoromethyl)-9H-purineIUPAC Name: 6-chloro-2-(trifluoromethyl)-7H-purineSMILES: C1=NC2=C(N1)C(=NC(=N2)C(F)(F)F)ClInChIKey: GRFXWPMEDWAEMH-UHFFFAOYSA-NInChI: InChI=1S/C6H2ClF3N4/c7-3-2-4(12-1-11-2)14-5(13-3)6(8,9)10/h1H,(H,11,12,13,14)
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6-(Piperidin-1-yl)-9H-purineCas Number: 1928-81-0 Compound CID: 3129049Formula: C10H13N5 Molecular Weight: 203.24IUPAC Name: 6-piperidin-1-yl-7H-purineSMILES: C1CCN(CC1)C2=NC=NC3=C2NC=N3InChIKey: OXCZAXJFRBPQRP-UHFFFAOYSA-NInChI: InChI=1S/C10H13N5/c1-2-4-15(5-3-1)10-8-9(12-6-11-8)13-7-14-10/h6-7H,1-5H2,(H,11,12,13,14)
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(2-Chloro-7H-purin-6-yl)-furan-2-ylmethyl-amineCas Number: 101862-47-9 Compound CID: 5037694Formula: C10H8N5OCl Molecular Weight: 249.66IUPAC Name: 2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amineSMILES: C1=COC(=C1)CNC2=NC(=NC3=C2NC=N3)ClInChIKey: QGUOPVCOXHVPJX-UHFFFAOYSA-NInChI: InChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16)
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2，6-DibromopurineIUPAC Name: 2,6-dibromo-7H-purineSMILES: C1=NC2=C(N1)C(=NC(=N2)Br)BrInChIKey: YPFDNCJJFMAZPJ-UHFFFAOYSA-NInChI: InChI=1S/C5H2Br2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
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2，6-Diamino-9H-purine-8-thiolCas Number: 462066-71-3 Compound CID: 5355144Formula: C5H6N6S Molecular Weight: 182.21IUPAC Name: 2,6-diamino-7,9-dihydropurine-8-thioneSMILES: C12=C(N=C(N=C1NC(=S)N2)N)NInChIKey: VKXYEVRDQVTHAB-UHFFFAOYSA-NInChI: InChI=1S/C5H6N6S/c6-2-1-3(10-4(7)9-2)11-5(12)8-1/h(H6,6,7,8,9,10,11,12)Synonyms: 2,6-Diamino-8-mercaptopurine | 2,6-Diamino-7H-Purine-8-Thiol
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2-Chloro-9-methyl-9H-purineCas Number: 2346-73-8 Compound CID: 7147173Formula: C6H5ClN4 Molecular Weight: 168.58IUPAC Name: 2-chloro-9-methylpurineSMILES: CN1C=NC2=CN=C(N=C21)ClInChIKey: AMVDDOZWEOPXRR-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN4/c1-11-3-9-4-2-8-6(7)10-5(4)11/h2-3H,1H3
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2-Chloro-9-(tetrahydropyran-2-yl)adenineCas Number: 77111-77-4 Compound CID: 12777819Formula: C10H12ClN5O Molecular Weight: 253.69IUPAC Name: 2-chloro-9-(oxan-2-yl)purin-6-amineSMILES: C1CCOC(C1)N2C=NC3=C(N=C(N=C32)Cl)NInChIKey: IZHATATVLOKVET-UHFFFAOYSA-NInChI: InChI=1S/C10H12ClN5O/c11-10-14-8(12)7-9(15-10)16(5-13-7)6-3-1-2-4-17-6/h5-6H,1-4H2,(H2,12,14,15)
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2-Chloro-6-methyl-9H-purineCas Number: 1681-19-2 Compound CID: 5910388Formula: C6H5ClN4 Molecular Weight: 168.58IUPAC Name: 2-chloro-6-methyl-7H-purineSMILES: CC1=C2C(=NC(=N1)Cl)N=CN2InChIKey: GSWWRXJYHSJFHJ-UHFFFAOYSA-NInChI: InChI=1S/C6H5ClN4/c1-3-4-5(9-2-8-4)11-6(7)10-3/h2H,1H3,(H,8,9,10,11)
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TheodrenalineCas Number: 13460-98-5 Compound CID: 71857Formula: C17H21N5O5 Molecular Weight: 375.4IUPAC Name: 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dioneSMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)OInChIKey: WMCMJIGLYZDKRN-UHFFFAOYSA-NInChI: InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
