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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c1-4-15-5-8-17(9-6-15)26-22-20(27(28)29)21(24-14-25-22)23-12-11-16-7-10-18(30-2)19(13-16)31-3/h5-10,13-14H,4,11-12H2,1-3H3,(H2,23,24,25,26)