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

Systemtic Name: cyclopenten-1-yl-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Openeye Name: cyclopenten-1-yl-[3-[5-methyl-2-(3-pyridylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methanone CAS Name: 1-cyclopentenyl-[3-[5-methyl-2-(3-pyridinylmethylthio)-4-pyrimidinyl]-1-piperidinyl]methanone IUPAC Name: cyclopenten-1-yl-[3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methanone Traditional Name: cyclopenten-1-yl-[3-[5-methyl-2-(3-pyridylmethylthio)pyrimidin-4-yl]piperidino]methanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CCCC3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C(=O)C3=CCCC3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-16-12-24-22(28-15-17-6-4-10-23-13-17)25-20(16)19-9-5-11-26(14-19)21(27)18-7-2-3-8-18/h4,6-7,10,12-13,19H,2-3,5,8-9,11,14-15H2,1H3