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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N6O2+ MolecularWeight: 391.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C(=NC=N4)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C(=NC=N4)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O2/c22-20-19(27(28)29)21(24-15-23-20)26-13-11-25(12-14-26)18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H2,22,23,24)/p+1