ethyl 3-[[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: ethyl 3-[[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: ethyl 3-[[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[6-[anilino(oxo)methyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[4-keto-5-methyl-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid ethyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C24H21N3O4S/c1-3-31-24(30)17-9-7-8-16(12-17)13-27-14-25-22-19(23(27)29)15(2)20(32-22)21(28)26-18-10-5-4-6-11-18/h4-12,14H,3,13H2,1-2H3,(H,26,28)