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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(4-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(4-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(4-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-[(4-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4/c1-13-6-8-21-17(10-13)25-20-18(26(27)28)19(23-12-24-20)22-9-7-14-4-5-15(29-2)16(11-14)30-3/h4-6,8,10-12H,7,9H2,1-3H3,(H2,21,22,23,24,25)