butyl 4-[2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid butyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-2-3-13-32-25(31)18-9-11-19(12-10-18)27-21(29)14-28-16-26-23-22(24(28)30)20(15-33-23)17-7-5-4-6-8-17/h4-12,15-16H,2-3,13-14H2,1H3,(H,27,29)