N-ethyl-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-ethyl-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-ethyl-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-ethyl-3-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-ethyl-3-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-ethyl-3-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C25H29N5OS MolecularWeight: 447.59566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5OS/c1-3-26-24(31)21-11-7-8-19(16-21)18-32-25-27-22(20-9-5-4-6-10-20)17-23(28-25)30-14-12-29(2)13-15-30/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,26,31)