[4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone CAS Name: [4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]methanone Traditional Name: (4-benzylpiperazino)-[4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]phenyl]methanone Formula: C28H33ClN6OS MolecularWeight: 537.11922

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H33ClN6OS/c1-32-11-15-34(16-12-32)26-19-25(29)30-28(31-26)37-21-23-7-9-24(10-8-23)27(36)35-17-13-33(14-18-35)20-22-5-3-2-4-6-22/h2-10,19H,11-18,20-21H2,1H3