4-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(2-chlorophenyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(2-chlorophenyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[1-(2-chlorobenzyl)-3-piperidyl]-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C22H29ClN4S MolecularWeight: 417.01046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H29ClN4S/c23-20-8-2-1-6-18(20)16-27-13-5-7-19(17-27)21-9-10-24-22(25-21)28-15-14-26-11-3-4-12-26/h1-2,6,8-10,19H,3-5,7,11-17H2