[3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 3-cyclopentylpropanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 3-cyclopentylpropanoate Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [3-(cyanomethyl)-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl]methyl 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

C1CCC(C1)CCC(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C23H23N3O3S/c24-12-13-26-19(14-29-20(27)11-10-16-6-4-5-7-16)25-22-21(23(26)28)18(15-30-22)17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-11,13-14H2