3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-N-(phenylmethyl)benzamide

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide Traditional Name: N-benzyl-3-[[[4-(4-ethylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-methyl-benzamide Formula: C32H35N5OS MolecularWeight: 537.7182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)N(C)CC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)N(C)CC5=CC=CC=C5

InChI

InChI=1S/C32H35N5OS/c1-3-36-17-19-37(20-18-36)30-22-29(27-14-8-5-9-15-27)33-32(34-30)39-24-26-13-10-16-28(21-26)31(38)35(2)23-25-11-6-4-7-12-25/h4-16,21-22H,3,17-20,23-24H2,1-2H3