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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H27N5O4/c1-5-27(18-8-6-7-16(2)13-18)23-21(28(29)30)22(25-15-26-23)24-12-11-17-9-10-19(31-3)20(14-17)32-4/h6-10,13-15H,5,11-12H2,1-4H3,(H,24,25,26)