N4-ethyl-N6-(3-methylbutyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N6-(3-methylbutyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-isopentyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-(3-methylbutyl)-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(3-methylbutyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(isoamylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C

InChI

InChI=1S/C18H25N5O2/c1-5-22(15-8-6-7-14(4)11-15)18-16(23(24)25)17(20-12-21-18)19-10-9-13(2)3/h6-8,11-13H,5,9-10H2,1-4H3,(H,19,20,21)