N6-(4-butylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4,N4-diisobutyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4,N4-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N,4-N-bis(2-methylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-diisobutyl-amine Formula: C22H33N5O2 MolecularWeight: 399.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O2/c1-6-7-8-18-9-11-19(12-10-18)25-21-20(27(28)29)22(24-15-23-21)26(13-16(2)3)14-17(4)5/h9-12,15-17H,6-8,13-14H2,1-5H3,(H,23,24,25)