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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(5-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(5-methyl-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(5-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(5-methyl-2-pyridyl)amine Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CN=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N7O2/c1-20-12-13-23(28-18-20)31-26-25(34(35)36)27(30-19-29-26)33-16-14-32(15-17-33)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18-19,24H,14-17H2,1H3,(H,28,29,30,31)