4-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(E)-3-(2-methoxyphenyl)allyl]-3-piperidyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine CAS Name: 4-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: 4-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4-[1-[(E)-3-(2-methoxyphenyl)allyl]-3-piperidyl]-2-(2-pyrrolidinoethylthio)pyrimidine Formula: C25H34N4OS MolecularWeight: 438.62866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CCN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4OS/c1-30-24-11-3-2-8-21(24)9-6-16-29-17-7-10-22(20-29)23-12-13-26-25(27-23)31-19-18-28-14-4-5-15-28/h2-3,6,8-9,11-13,22H,4-5,7,10,14-20H2,1H3/b9-6+