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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methoxyphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine Traditional Name: homoveratryl-[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)OC3=CC=CC=C3OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)OC3=CC=CC=C3OC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O6/c1-28-15-6-4-5-7-17(15)31-21-19(25(26)27)20(23-13-24-21)22-11-10-14-8-9-16(29-2)18(12-14)30-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24)