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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-pyridin-3-yloxy-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(3-pyridyloxy)pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(3-pyridinyloxy)-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine Traditional Name: homoveratryl-[5-nitro-6-(3-pyridyloxy)pyrimidin-4-yl]amine Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O5/c1-27-15-6-5-13(10-16(15)28-2)7-9-21-18-17(24(25)26)19(23-12-22-18)29-14-4-3-8-20-11-14/h3-6,8,10-12H,7,9H2,1-2H3,(H,21,22,23)