N6-(4-butylphenyl)-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-butylphenyl)-N4-(5-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4-(5-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(5-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(5-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(5-methyl-2-pyridyl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2/c1-3-4-5-15-7-9-16(10-8-15)24-19-18(26(27)28)20(23-13-22-19)25-17-11-6-14(2)12-21-17/h6-13H,3-5H2,1-2H3,(H2,21,22,23,24,25)