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

Systemtic Name: N6-butyl-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(2,3-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(=C2C)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2C)C

InChI

InChI=1S/C16H21N5O2/c1-4-5-9-17-15-14(21(22)23)16(19-10-18-15)20-13-8-6-7-11(2)12(13)3/h6-8,10H,4-5,9H2,1-3H3,(H2,17,18,19,20)