N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: homoveratryl-[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O5/c1-14-4-7-16(8-5-14)30-21-19(25(26)27)20(23-13-24-21)22-11-10-15-6-9-17(28-2)18(12-15)29-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24)