N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C27H24ClFN6O2 MolecularWeight: 518.969863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24ClFN6O2/c28-22-17-21(11-12-23(22)29)32-26-25(35(36)37)27(31-18-30-26)34-15-13-33(14-16-34)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2,(H,30,31,32)