N-(3,5-dimethylphenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3,5-dimethylphenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3,5-dimethylphenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C29H30N6O2 MolecularWeight: 494.5875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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