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

Systemtic Name: N-(4-methoxyphenyl)-6-methyl-5-nitro-2-piperazin-4-ium-1-yl-pyrimidin-4-amine Openeye Name: N-(4-methoxyphenyl)-6-methyl-5-nitro-2-piperazin-4-ium-1-yl-pyrimidin-4-amine CAS Name: N-(4-methoxyphenyl)-6-methyl-5-nitro-2-(1-piperazin-4-iumyl)-4-pyrimidinamine IUPAC Name: N-(4-methoxyphenyl)-6-methyl-5-nitro-2-piperazin-4-ium-1-ylpyrimidin-4-amine Traditional Name: (4-methoxyphenyl)-(6-methyl-5-nitro-2-piperazin-4-ium-1-yl-pyrimidin-4-yl)amine Formula: C16H21N6O3+ MolecularWeight: 345.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CC[NH2+]CC2)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CC[NH2+]CC2)NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c1-11-14(22(23)24)15(19-12-3-5-13(25-2)6-4-12)20-16(18-11)21-9-7-17-8-10-21/h3-6,17H,7-10H2,1-2H3,(H,18,19,20)/p+1