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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl furan-2-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl furan-2-carboxylate CAS Name: 2-furancarboxylic 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 furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-(cyanomethyl)-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C20H13N3O4S MolecularWeight: 391.39992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)COC(=O)C4=CC=CO4)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)COC(=O)C4=CC=CO4)CC#N

InChI

InChI=1S/C20H13N3O4S/c21-8-9-23-16(11-27-20(25)15-7-4-10-26-15)22-18-17(19(23)24)14(12-28-18)13-5-2-1-3-6-13/h1-7,10,12H,9,11H2