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

Systemtic Name: butyl 4-[2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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(=C(S3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-4-5-10-28-21(27)15-6-8-16(9-7-15)23-17(25)11-24-12-22-19-18(20(24)26)13(2)14(3)29-19/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,25)