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Pyrimidones
Description:
Compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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6-Amino-3-methylpyrimidin-4(3H)-oneCas Number: 1122-46-9 Compound CID: 580359Formula: C5H7N3O Molecular Weight: 125.12IUPAC Name: 6-amino-3-methylpyrimidin-4-oneSMILES: CN1C=NC(=CC1=O)NInChIKey: KSRSEUOJMZPSFL-UHFFFAOYSA-NInChI: InChI=1S/C5H7N3O/c1-8-3-7-4(6)2-5(8)9/h2-3H,6H2,1H3 -
5，6-Diaminopyrimidine-2，4(1H，3H)-dione sulfateCas Number: 42965-55-9Formula: C4H8N4O6S Molecular Weight: 240.2IUPAC Name: 5,6-diamino-1H-pyrimidine-2,4-dione;sulfuric acidSMILES: C1(=C(NC(=O)NC1=O)N)N.OS(=O)(=O)OInChIKey: IKARJSDZQCSEJX-UHFFFAOYSA-NInChI: InChI=1S/C4H6N4O2.H2O4S/c5-1-2(6)7-4(10)8-3(1)9;1-5(2,3)4/h5H2,(H4,6,7,8,9,10);(H2,1,2,3,4)
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5-hydroxy-1，3-diazinan-2-oneCas Number: 1852-18-2 Compound CID: 74616Formula: C4H8N2O2 Molecular Weight: 116.12IUPAC Name: 5-hydroxy-1,3-diazinan-2-oneSMILES: C1C(CNC(=O)N1)OInChIKey: PZSCGIVZIUKDAJ-UHFFFAOYSA-NInChI: InChI=1S/C4H8N2O2/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8)
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5-Ethyl-6-methyl-2-thioxo-2，3-dihydropyrimidin-4(1H)-oneCas Number: 39083-15-3 Compound CID: 1540617Formula: C7H10N2OS Molecular Weight: 170.23IUPAC Name: 5-ethyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-oneSMILES: CCC1=C(NC(=S)NC1=O)CInChIKey: UMBJMJGRRXHYBN-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2OS/c1-3-5-4(2)8-7(11)9-6(5)10/h3H2,1-2H3,(H2,8,9,10,11)
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4-Methylpyrimidin-2(1H)-oneCas Number: 15231-48-8 Compound CID: 407091Formula: C5H6N2O Molecular Weight: 110.12IUPAC Name: 6-methyl-1H-pyrimidin-2-oneSMILES: CC1=CC=NC(=O)N1InChIKey: AHHHDTLXONDKQF-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2O/c1-4-2-3-6-5(8)7-4/h2-3H,1H3,(H,6,7,8)
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2-Amino-4-oxo-1，4-dihydropyrimidine-5-carbonitrileCas Number: 27058-50-0 Compound CID: 309158Formula: C5H4N4O Molecular Weight: 136.11IUPAC Name: 2-amino-6-oxo-1H-pyrimidine-5-carbonitrileSMILES: C1=C(C(=O)NC(=N1)N)C#NInChIKey: YAKNECSSHHNRNA-UHFFFAOYSA-NInChI: InChI=1S/C5H4N4O/c6-1-3-2-8-5(7)9-4(3)10/h2H,(H3,7,8,9,10)
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1，3，5-Trimethylpyrimidine-2，4(1H，3H)-dioneCas Number: 4401-71-2 Compound CID: 78112Formula: C7H10N2O2 Molecular Weight: 154.17IUPAC Name: 1,3,5-trimethylpyrimidine-2,4-dioneSMILES: CC1=CN(C(=O)N(C1=O)C)CInChIKey: BHWQEVXICGSHEW-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2O2/c1-5-4-8(2)7(11)9(3)6(5)10/h4H,1-3H3
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1，5-Dihydro-furo[3，4-d]pyrimidine-2，4，7-trioneIUPAC Name: 1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7-trioneSMILES: C1C2=C(C(=O)O1)NC(=O)NC2=OInChIKey: MFHLWNMYHQMDMV-UHFFFAOYSA-NInChI: InChI=1S/C6H4N2O4/c9-4-2-1-12-5(10)3(2)7-6(11)8-4/h1H2,(H2,7,8,9,11)
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1-Methylbarbituric acidCas Number: 2565-47-1Formula: C5H6N2O3 Molecular Weight: 142.11IUPAC Name: 1-methyl-1,3-diazinane-2,4,6-trioneSMILES: CN1C(=O)CC(=O)NC1=OInChIKey: DCGGMHIZEAHUJL-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2O3/c1-7-4(9)2-3(8)6-5(7)10/h2H2,1H3,(H,6,8,10)Synonyms: 1-Methylpyrimidine-2,4,6(1H,3H,5H)-trione | n-methylbarbituric acid | 1-Methyl barbituric acid | 1-Methylbarbituric a...
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1，3-Dibutyl-2-thioxodihydropyrimidine-4，6(1H，5H)-dioneCas Number: 54443-89-9 Compound CID: 108592Formula: C12H20N2O2S Molecular Weight: 256.37IUPAC Name: 1,3-dibutyl-2-sulfanylidene-1,3-diazinane-4,6-dioneSMILES: CCCCN1C(=O)CC(=O)N(C1=S)CCCCInChIKey: JNFBSDIDVPDZHB-UHFFFAOYSA-NInChI: InChI=1S/C12H20N2O2S/c1-3-5-7-13-10(15)9-11(16)14(12(13)17)8-6-4-2/h3-9H2,1-2H3
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1-Isopropyl-2，4-dioxo-1，2，3，4-tetrahydropyrimidine-5-carbonitrileCas Number: 57712-59-1 Compound CID: 2779165Formula: C8H9N3O2 Molecular Weight: 179.18IUPAC Name: 2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonitrileSMILES: CC(C)N1C=C(C(=O)NC1=O)C#NInChIKey: OKKOFTSDDHQKNW-UHFFFAOYSA-NInChI: InChI=1S/C8H9N3O2/c1-5(2)11-4-6(3-9)7(12)10-8(11)13/h4-5H,1-2H3,(H,10,12,13)
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5-isopropyl-2-thioxo-1H-pyrimidin-4-oneCas Number: 18718-34-8 Compound CID: 12512047Formula: C7H10N2OS Molecular Weight: 170.23SMILES: CC(C)C1=CNC(=S)NC1=OInChIKey: VFYFWCFWCLTDIF-UHFFFAOYSA-NInChI: InChI=1S/C7H10N2OS/c1-4(2)5-3-8-7(11)9-6(5)10/h3-4H,1-2H3,(H2,8,9,10,11)
