N4-ethyl-N6-(2-ethylphenyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N6-(2-ethylphenyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(2-ethylphenyl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-(2-ethylphenyl)-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(2-ethylphenyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(CC)C3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)N(CC)C3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

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