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

Systemtic Name: N2-(3,4-dimethylphenyl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3,4-dimethylphenyl)-N4-(4-ethoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3,4-dimethylphenyl)-N4-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-4-N-(4-ethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H22N6O3/c1-4-29-16-9-7-14(8-10-16)22-19-17(26(27)28)18(21)24-20(25-19)23-15-6-5-12(2)13(3)11-15/h5-11H,4H2,1-3H3,(H4,21,22,23,24,25)