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

Systemtic Name: butyl 2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: butyl 2-(5-cyclopropyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(5-cyclopropyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(5-cyclopropyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid butyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=C(C(=CS2)C3CC3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=C(C(=CS2)C3CC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3S2/c1-2-3-11-26-17(24)13-28-21-22-19-18(16(12-27-19)14-9-10-14)20(25)23(21)15-7-5-4-6-8-15/h4-8,12,14H,2-3,9-11,13H2,1H3