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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 2-methylpropanoate Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic acid [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC#N

Isomeric SMILES

CC(C)C(=O)OCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1CC#N

InChI

InChI=1S/C19H17N3O3S/c1-12(2)19(24)25-10-15-21-17-16(18(23)22(15)9-8-20)14(11-26-17)13-6-4-3-5-7-13/h3-7,11-12H,9-10H2,1-2H3