N4-(2,5-dimethylphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2,5-dimethylphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethylphenyl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethylphenyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethylphenyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O2/c1-11(2)7-8-18-16-15(22(23)24)17(20-10-19-16)21-14-9-12(3)5-6-13(14)4/h5-6,9-11H,7-8H2,1-4H3,(H2,18,19,20,21)