4a-ethyl-3-methyl-2-pyridin-2-yl-7-pyrimidin-2-yloxy-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-3-methyl-2-pyridin-2-yl-7-pyrimidin-2-yloxy-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-3-methyl-2-(2-pyridyl)-7-pyrimidin-2-yloxy-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-3-methyl-2-(2-pyridinyl)-7-(2-pyrimidinyloxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-3-methyl-2-pyridin-2-yl-7-pyrimidin-2-yloxy-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-3-methyl-2-(2-pyridyl)-7-(2-pyrimidyloxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OC4=NC=CC=N4)(C5=CC=CC=N5)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OC4=NC=CC=N4)(C5=CC=CC=N5)O)(C)O

InChI

InChI=1S/C26H29N3O3/c1-3-25-17-24(2,30)26(31,22-7-4-5-12-27-22)16-19(25)9-8-18-15-20(10-11-21(18)25)32-23-28-13-6-14-29-23/h4-7,10-15,19,30-31H,3,8-9,16-17H2,1-2H3