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

Systemtic Name: 1-[3-[(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[3-[(3S)-3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[[(3S)-3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]-oxomethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[(3S)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[(3S)-3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidine-1-carbonyl]phenyl]-2-pyrrolidone Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CC(=CC=C3)N4CCCC4=O)SCC5=CN=CC=C5

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)N4CCCC4=O)SCC5=CN=CC=C5

InChI

InChI=1S/C27H29N5O2S/c1-19-15-29-27(35-18-20-6-3-11-28-16-20)30-25(19)22-8-4-12-31(17-22)26(34)21-7-2-9-23(14-21)32-13-5-10-24(32)33/h2-3,6-7,9,11,14-16,22H,4-5,8,10,12-13,17-18H2,1H3/t22-/m0/s1