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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N5O2/c1-3-4-5-16-8-12-18(13-9-16)25-21-19(26(27)28)20(22-14-23-21)24-17-10-6-15(2)7-11-17/h6-14H,3-5H2,1-2H3,(H2,22,23,24,25)