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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-3-phenyl-2-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate CAS Name: 5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Traditional Name: 4-keto-5-methyl-3-phenyl-2-thioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-3-22-15(21)11-9-18(2)13-12(11)17-16(23)19(14(13)20)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,17,23)