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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(4-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(4-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O3/c1-37-24-14-12-23(13-15-24)31-27-26(34(35)36)28(30-20-29-27)33-18-16-32(17-19-33)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,20,25H,16-19H2,1H3,(H,29,30,31)