6-[4-(diphenylmethyl)piperazin-1-yl]-N-(4-iodophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(4-iodophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-iodophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(4-iodophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-iodophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-iodophenyl)amine Formula: C27H25IN6O2 MolecularWeight: 592.43087

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H25IN6O2/c28-22-11-13-23(14-12-22)31-26-25(34(35)36)27(30-19-29-26)33-17-15-32(16-18-33)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,24H,15-18H2,(H,29,30,31)