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

Systemtic Name: N-cycloheptyl-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-cycloheptyl-5-nitro-pyrimidin-4-amine CAS Name: N-cycloheptyl-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-cycloheptyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N6O2/c35-34(36)26-27(31-24-15-9-1-2-10-16-24)29-21-30-28(26)33-19-17-32(18-20-33)25(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,21,24-25H,1-2,9-10,15-20H2,(H,29,30,31)