[3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone

Systemtic Name: [3-[2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [3-(5-benzyl-2-methyl-pyrimidin-4-yl)-1-piperidyl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [3-[2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperidinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [3-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [3-(5-benzyl-2-methyl-pyrimidin-4-yl)piperidino]-[2-(methylthio)-3-pyridyl]methanone Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=C(N=CC=C3)SC)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)C3=C(N=CC=C3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-17-26-15-20(14-18-8-4-3-5-9-18)22(27-17)19-10-7-13-28(16-19)24(29)21-11-6-12-25-23(21)30-2/h3-6,8-9,11-12,15,19H,7,10,13-14,16H2,1-2H3