butyl 4-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid butyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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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

Isomeric SMILES

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

InChI

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