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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

InChI

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