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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C28H35N7O2 MolecularWeight: 501.6232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H35N7O2/c1-31-15-13-24(14-16-31)32(2)27-26(35(36)37)28(30-21-29-27)34-19-17-33(18-20-34)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24-25H,13-20H2,1-2H3