ethyl 6-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2N)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN=C(N2N)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H20N6O3S/c1-3-26-15(24)12-8-19-16(25)20-13(12)9-27-17-22-21-14(23(17)18)11-6-4-10(2)5-7-11/h4-7H,3,8-9,18H2,1-2H3,(H2,19,20,25)