N4-butyl-N6-(4-ethylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-(4-ethylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(4-ethylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(4-ethylphenyl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(4-ethylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)CC

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)CC

InChI

InChI=1S/C17H23N5O2/c1-4-6-11-21(3)17-15(22(23)24)16(18-12-19-17)20-14-9-7-13(5-2)8-10-14/h7-10,12H,4-6,11H2,1-3H3,(H,18,19,20)