ethyl 1-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]nipecotic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

InChI

InChI=1S/C23H27N3O3S/c1-4-29-23(28)17-6-5-11-26(12-17)13-18-24-21(27)20-19(15(3)30-22(20)25-18)16-9-7-14(2)8-10-16/h7-10,17H,4-6,11-13H2,1-3H3,(H,24,25,27)