2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-[1-(thiolan-3-yl)piperidin-3-yl]pyrimidine

Systemtic Name: 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-[1-(thiolan-3-yl)piperidin-3-yl]pyrimidine Openeye Name: 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-(1-tetrahydrothiophen-3-yl-3-piperidyl)pyrimidine CAS Name: 2-(2-methoxyethylthio)-5-(3-methoxyphenyl)-4-[1-(3-thiolanyl)-3-piperidinyl]pyrimidine IUPAC Name: 2-(2-methoxyethylsulfanyl)-5-(3-methoxyphenyl)-4-[1-(thiolan-3-yl)piperidin-3-yl]pyrimidine Traditional Name: 2-(2-methoxyethylthio)-5-(3-methoxyphenyl)-4-(1-tetrahydrothiophen-3-yl-3-piperidyl)pyrimidine Formula: C23H31N3O2S2 MolecularWeight: 445.64114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NC=C(C(=N1)C2CCCN(C2)C3CCSC3)C4=CC(=CC=C4)OC

Isomeric SMILES

COCCSC1=NC=C(C(=N1)C2CCCN(C2)C3CCSC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H31N3O2S2/c1-27-10-12-30-23-24-14-21(17-5-3-7-20(13-17)28-2)22(25-23)18-6-4-9-26(15-18)19-8-11-29-16-19/h3,5,7,13-14,18-19H,4,6,8-12,15-16H2,1-2H3