2-hexylsulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide

Systemtic Name: 2-hexylsulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide Openeye Name: 2-hexylsulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide CAS Name: 2-(hexylthio)-N-[3-(4-methyl-1-piperazinyl)propyl]-6-(3,4,5-trimethoxyphenyl)-4-pyrimidinecarboxamide IUPAC Name: 2-hexylsulfanyl-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(hexylthio)-N-[3-(4-methylpiperazino)propyl]-6-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide Formula: C28H43N5O4S MolecularWeight: 545.73712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=CC(=N1)C(=O)NCCCN2CCN(CC2)C)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCCCSC1=NC(=CC(=N1)C(=O)NCCCN2CCN(CC2)C)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C28H43N5O4S/c1-6-7-8-9-17-38-28-30-22(21-18-24(35-3)26(37-5)25(19-21)36-4)20-23(31-28)27(34)29-11-10-12-33-15-13-32(2)14-16-33/h18-20H,6-17H2,1-5H3,(H,29,34)