[3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [3-[[4-chloranyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [3-[[4-(4-benzylpiperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [3-[[[4-chloro-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]phenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [3-[[4-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [3-[[[4-(4-benzylpiperazino)-6-chloro-pyrimidin-2-yl]thio]methyl]phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C33H34ClN7O3S MolecularWeight: 644.18616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-])Cl

InChI

InChI=1S/C33H34ClN7O3S/c34-30-22-31(39-15-13-37(14-16-39)23-25-5-2-1-3-6-25)36-33(35-30)45-24-26-7-4-8-27(21-26)32(42)40-19-17-38(18-20-40)28-9-11-29(12-10-28)41(43)44/h1-12,21-22H,13-20,23-24H2