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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4S/c1-19-6-8-20(9-7-19)17-27-14-4-5-21(18-27)22-10-11-24-23(25-22)28-16-15-26-12-2-3-13-26/h6-11,21H,2-5,12-18H2,1H3