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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c1-15-4-6-17(7-5-15)13-24-22-20(27(28)29)21(25-14-26-22)23-11-10-16-8-9-18(30-2)19(12-16)31-3/h4-9,12,14H,10-11,13H2,1-3H3,(H2,23,24,25,26)