ethyl 1-(6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-(6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-methylsulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-mesyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O4S/c1-3-30-22(27)17-9-12-25(13-10-17)21-18-15-26(31(2,28)29)14-11-19(18)23-20(24-21)16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3