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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(3-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(3-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C28H28N6O3 MolecularWeight: 496.56032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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