N4-butan-2-yl-N6-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,5-dimethylphenyl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-sec-butyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)C)C

InChI

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