ethyl 5-methyl-3-(4-methylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 5-methyl-3-(4-methylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-3-(p-tolyl)-2-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate CAS Name: 5-methyl-3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Traditional Name: 4-keto-5-methyl-3-(p-tolyl)-2-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C1NC(=S)N(C2=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C1NC(=S)N(C2=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C17H17N3O3S/c1-4-23-16(22)12-9-19(3)14-13(12)18-17(24)20(15(14)21)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3,(H,18,24)