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

Systemtic Name: N6-(4-butylphenyl)-N4-(2-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-5-nitro-N4-(o-tolyl)pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-(o-tolyl)amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2/c1-3-4-8-16-10-12-17(13-11-16)24-20-19(26(27)28)21(23-14-22-20)25-18-9-6-5-7-15(18)2/h5-7,9-14H,3-4,8H2,1-2H3,(H2,22,23,24,25)