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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-phenoxy-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-phenoxy-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-phenoxy-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-phenoxypyrimidin-4-amine Traditional Name: homoveratryl-(5-nitro-6-phenoxy-pyrimidin-4-yl)amine Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)OC3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)OC3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N4O5/c1-27-16-9-8-14(12-17(16)28-2)10-11-21-19-18(24(25)26)20(23-13-22-19)29-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,22,23)