2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C17H24N7O2+ MolecularWeight: 358.41816

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H23N7O2/c1-2-22-8-10-23(11-9-22)17-20-15(18)14(24(25)26)16(21-17)19-12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H3,18,19,20,21)/p+1