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

Systemtic Name: methyl 3-[3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Openeye Name: methyl 3-[3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate CAS Name: 3-[[3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoate Traditional Name: 3-[3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propanoylamino]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=CC=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C19H19N3O4S/c1-11-12(2)27-17-16(11)18(24)22(10-20-17)8-7-15(23)21-14-6-4-5-13(9-14)19(25)26-3/h4-6,9-10H,7-8H2,1-3H3,(H,21,23)