N2-(2,3-dimethylphenyl)-N4-(4-ethoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(2,3-dimethylphenyl)-N4-(4-ethoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(2,3-dimethylphenyl)-N4-(4-ethoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2,3-dimethylphenyl)-N4-(4-ethoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(2,3-dimethylphenyl)-4-N-(4-ethoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(2,3-dimethylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C21H23N5O3/c1-5-29-17-11-9-16(10-12-17)23-20-19(26(27)28)15(4)22-21(25-20)24-18-8-6-7-13(2)14(18)3/h6-12H,5H2,1-4H3,(H2,22,23,24,25)