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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-N-pyridin-4-yl-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-(4-pyridyl)pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-N-pyridin-4-yl-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-5-nitro-N-pyridin-4-ylpyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C26H25N7O2 MolecularWeight: 467.5224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N7O2/c34-33(35)24-25(30-22-11-13-27-14-12-22)28-19-29-26(24)32-17-15-31(16-18-32)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,19,23H,15-18H2,(H,27,28,29,30)