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

Systemtic Name: 4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C29H30N6OS MolecularWeight: 510.6531

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C29H30N6OS/c1-34-15-17-35(18-16-34)27-19-26(23-7-3-2-4-8-23)32-29(33-27)37-21-22-10-12-24(13-11-22)28(36)31-20-25-9-5-6-14-30-25/h2-14,19H,15-18,20-21H2,1H3,(H,31,36)