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

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-N4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5/c1-30-17-7-4-16(5-8-17)13-24-22-20(27(28)29)21(25-14-26-22)23-11-10-15-6-9-18(31-2)19(12-15)32-3/h4-9,12,14H,10-11,13H2,1-3H3,(H2,23,24,25,26)