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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])C

InChI

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