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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl cyclobutanecarboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic 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 cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

Isomeric SMILES

C1CC(C1)C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC#N

InChI

InChI=1S/C20H17N3O3S/c21-9-10-23-16(11-26-20(25)14-7-4-8-14)22-18-17(19(23)24)15(12-27-18)13-5-2-1-3-6-13/h1-3,5-6,12,14H,4,7-8,10-11H2