N-(5-bromanylpyridin-2-yl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-bromanylpyridin-2-yl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(5-bromo-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-bromo-2-pyridinyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(5-bromopyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(5-bromo-2-pyridyl)amine Formula: C26H24BrN7O2 MolecularWeight: 546.41846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrN7O2/c27-21-11-12-22(28-17-21)31-25-24(34(35)36)26(30-18-29-25)33-15-13-32(14-16-33)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,23H,13-16H2,(H,28,29,30,31)