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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-naphthalen-1-yl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(1-naphthyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(1-naphthalenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(1-naphthyl)amine Formula: C31H28N6O2 MolecularWeight: 516.59302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H28N6O2/c38-37(39)29-30(34-27-17-9-15-23-10-7-8-16-26(23)27)32-22-33-31(29)36-20-18-35(19-21-36)28(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-17,22,28H,18-21H2,(H,32,33,34)