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

Systemtic Name: ethyl 1-[6-(3-cyanophenyl)sulfonyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-cyanophenyl)sulfonyl-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-cyanophenyl)sulfonyl-2-(3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-cyanophenyl)sulfonyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-cyanophenyl)sulfonyl-2-(3-pyridyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C27H28N6O4S MolecularWeight: 532.61402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CN=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=NC3=C2CN(CC3)S(=O)(=O)C4=CC=CC(=C4)C#N)C5=CN=CC=C5

InChI

InChI=1S/C27H28N6O4S/c1-2-37-27(34)20-8-12-32(13-9-20)26-23-18-33(38(35,36)22-7-3-5-19(15-22)16-28)14-10-24(23)30-25(31-26)21-6-4-11-29-17-21/h3-7,11,15,17,20H,2,8-10,12-14,18H2,1H3