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

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

Isomeric SMILES

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

InChI

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