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

Systemtic Name: 4-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(3-methoxyphenyl)methyl]-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(3-methoxyphenyl)methyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-(1-m-anisyl-3-piperidyl)-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C23H32N4OS MolecularWeight: 412.59138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

InChI

InChI=1S/C23H32N4OS/c1-28-21-8-4-6-19(16-21)17-27-13-5-7-20(18-27)22-9-10-24-23(25-22)29-15-14-26-11-2-3-12-26/h4,6,8-10,16,20H,2-3,5,7,11-15,17-18H2,1H3