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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-14-5-4-6-16(11-14)25-21-19(26(27)28)20(23-13-24-21)22-10-9-15-7-8-17(29-2)18(12-15)30-3/h4-8,11-13H,9-10H2,1-3H3,(H2,22,23,24,25)