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

Systemtic Name: N6-butyl-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C16H21N5O2/c1-4-5-6-17-15-14(21(22)23)16(19-10-18-15)20-13-8-11(2)7-12(3)9-13/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20)