methyl 3-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[(3S)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[(3S)-3-[5-methyl-2-(2-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-[5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[(3S)-3-[5-methyl-2-(2-pyridylmethylthio)pyrimidin-4-yl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC(=CC=C3)C(=O)OC)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)C(=O)OC)SCC4=CC=CC=N4

InChI

InChI=1S/C25H26N4O3S/c1-17-14-27-25(33-16-21-10-3-4-11-26-21)28-22(17)20-9-6-12-29(15-20)23(30)18-7-5-8-19(13-18)24(31)32-2/h3-5,7-8,10-11,13-14,20H,6,9,12,15-16H2,1-2H3/t20-/m0/s1