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

Systemtic Name: N4-(4-butylphenyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butylphenyl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butylphenyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C19H27N5O2 MolecularWeight: 357.44998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O2/c1-4-5-6-15-7-9-16(10-8-15)23-19-17(24(25)26)18(21-13-22-19)20-12-11-14(2)3/h7-10,13-14H,4-6,11-12H2,1-3H3,(H2,20,21,22,23)