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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-ethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(2-ethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-ethylphenyl)amine Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N6O2/c1-2-22-11-9-10-16-25(22)32-28-27(35(36)37)29(31-21-30-28)34-19-17-33(18-20-34)26(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-16,21,26H,2,17-20H2,1H3,(H,30,31,32)