(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S/c25-18-17-15(8-11-29-17)22-16(23-18)12-28-19(26)13-6-9-24(10-7-13)20(27)21-14-4-2-1-3-5-14/h1-5,8,11,13H,6-7,9-10,12H2,(H,21,27)(H,22,23,25)