N-(4-ethoxyphenyl)-6-methyl-5-nitro-2-piperazin-4-ium-1-yl-pyrimidin-4-amine

Systemtic Name: N-(4-ethoxyphenyl)-6-methyl-5-nitro-2-piperazin-4-ium-1-yl-pyrimidin-4-amine Openeye Name: N-(4-ethoxyphenyl)-6-methyl-5-nitro-2-piperazin-4-ium-1-yl-pyrimidin-4-amine CAS Name: N-(4-ethoxyphenyl)-6-methyl-5-nitro-2-(1-piperazin-4-iumyl)-4-pyrimidinamine IUPAC Name: N-(4-ethoxyphenyl)-6-methyl-5-nitro-2-piperazin-4-ium-1-ylpyrimidin-4-amine Traditional Name: (6-methyl-5-nitro-2-piperazin-4-ium-1-yl-pyrimidin-4-yl)-p-phenetyl-amine Formula: C17H23N6O3+ MolecularWeight: 359.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)N3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H22N6O3/c1-3-26-14-6-4-13(5-7-14)20-16-15(23(24)25)12(2)19-17(21-16)22-10-8-18-9-11-22/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,21)/p+1