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

Systemtic Name: 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-(m-tolylmethyl)-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(3-methylphenyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(3-methylphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[1-(3-methylbenzyl)-3-piperidyl]-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C23H32N4S MolecularWeight: 396.59198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

InChI

InChI=1S/C23H32N4S/c1-19-6-4-7-20(16-19)17-27-13-5-8-21(18-27)22-9-10-24-23(25-22)28-15-14-26-11-2-3-12-26/h4,6-7,9-10,16,21H,2-3,5,8,11-15,17-18H2,1H3