N4-(3,4-dimethylphenyl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-(3-methylbutyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3,4-dimethylphenyl)-N2-isopentyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-isoamyl-amine Formula: C17H24N6O2 MolecularWeight: 344.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC(C)C)C

InChI

InChI=1S/C17H24N6O2/c1-10(2)7-8-19-17-21-15(18)14(23(24)25)16(22-17)20-13-6-5-11(3)12(4)9-13/h5-6,9-10H,7-8H2,1-4H3,(H4,18,19,20,21,22)