4-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine

Systemtic Name: 4-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine Openeye Name: 4-[1-[(E)-3-(4-methoxyphenyl)allyl]-3-piperidyl]-5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidine CAS Name: 4-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-piperidinyl]-5-methyl-2-(2-pyridinylmethylthio)pyrimidine IUPAC Name: 4-[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-3-yl]-5-methyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine Traditional Name: 4-[1-[(E)-3-(4-methoxyphenyl)allyl]-3-piperidyl]-5-methyl-2-(2-pyridylmethylthio)pyrimidine Formula: C26H30N4OS MolecularWeight: 446.6076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)CC=CC3=CC=C(C=C3)OC)SCC4=CC=CC=N4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C/C=C/C3=CC=C(C=C3)OC)SCC4=CC=CC=N4

InChI

InChI=1S/C26H30N4OS/c1-20-17-28-26(32-19-23-9-3-4-14-27-23)29-25(20)22-8-6-16-30(18-22)15-5-7-21-10-12-24(31-2)13-11-21/h3-5,7,9-14,17,22H,6,8,15-16,18-19H2,1-2H3/b7-5+