2-hexylsulfanyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

Systemtic Name: 2-hexylsulfanyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine Openeye Name: 2-hexylsulfanyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine CAS Name: 2-(hexylthio)-6-[[3-(4-methyl-1-piperazinyl)propylamino]methyl]-N-(3,4,5-trimethoxyphenyl)-4-pyrimidinamine IUPAC Name: 2-hexylsulfanyl-6-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine Traditional Name: [2-(hexylthio)-6-[[3-(4-methylpiperazino)propylamino]methyl]pyrimidin-4-yl]-(3,4,5-trimethoxyphenyl)amine Formula: C28H46N6O3S MolecularWeight: 546.76824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=CC(=N1)NC2=CC(=C(C(=C2)OC)OC)OC)CNCCCN3CCN(CC3)C

Isomeric SMILES

CCCCCCSC1=NC(=CC(=N1)NC2=CC(=C(C(=C2)OC)OC)OC)CNCCCN3CCN(CC3)C

InChI

InChI=1S/C28H46N6O3S/c1-6-7-8-9-17-38-28-31-23(21-29-11-10-12-34-15-13-33(2)14-16-34)20-26(32-28)30-22-18-24(35-3)27(37-5)25(19-22)36-4/h18-20,29H,6-17,21H2,1-5H3,(H,30,31,32)