(E)-1-(2-ethoxypyrimidin-5-yl)-7-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]hept-1-en-3-one

Systemtic Name: (E)-1-(2-ethoxypyrimidin-5-yl)-7-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]hept-1-en-3-one Openeye Name: (E)-1-(2-ethoxypyrimidin-5-yl)-7-[6-[(4-methoxyphenyl)methylamino]-2-pyridyl]hept-1-en-3-one CAS Name: (E)-1-(2-ethoxy-5-pyrimidinyl)-7-[6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-1-hepten-3-one IUPAC Name: (E)-1-(2-ethoxypyrimidin-5-yl)-7-[6-[(4-methoxyphenyl)methylamino]pyridin-2-yl]hept-1-en-3-one Traditional Name: (E)-1-(2-ethoxypyrimidin-5-yl)-7-[6-(p-anisylamino)-2-pyridyl]hept-1-en-3-one Formula: C26H30N4O3 MolecularWeight: 446.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=N1)C=CC(=O)CCCCC2=NC(=CC=C2)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=NC=C(C=N1)/C=C/C(=O)CCCCC2=NC(=CC=C2)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H30N4O3/c1-3-33-26-28-18-21(19-29-26)11-14-23(31)9-5-4-7-22-8-6-10-25(30-22)27-17-20-12-15-24(32-2)16-13-20/h6,8,10-16,18-19H,3-5,7,9,17H2,1-2H3,(H,27,30)/b14-11+