1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-[6-(4-methyl-1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-[6-(4-methyl-1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-[6-(4-methylpiperidino)pyrimidin-4-yl]piperazino]-3-(phenylthio)propan-1-one Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H31N5OS/c1-19-7-10-26(11-8-19)21-17-22(25-18-24-21)27-12-14-28(15-13-27)23(29)9-16-30-20-5-3-2-4-6-20/h2-6,17-19H,7-16H2,1H3