propyl 3-[2-(6-aminocarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: propyl 3-[2-(6-aminocarbonyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: propyl 3-[[2-(6-carbamoyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(6-carbamoyl-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[2-(6-carbamoyl-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(6-carbamoyl-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid propyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N)C

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)N)C

InChI

InChI=1S/C20H20N4O5S/c1-3-7-29-20(28)12-5-4-6-13(8-12)23-14(25)9-24-10-22-18-15(19(24)27)11(2)16(30-18)17(21)26/h4-6,8,10H,3,7,9H2,1-2H3,(H2,21,26)(H,23,25)