cyanomethyl 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: cyanomethyl 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: cyanomethyl 2-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid cyanomethyl ester Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OCC#N

InChI

InChI=1S/C17H13N3O3S/c1-11-2-4-12(5-3-11)13-9-24-16-15(13)17(22)20(10-19-16)8-14(21)23-7-6-18/h2-5,9-10H,7-8H2,1H3