(6E)-6-[5-[4-[(E)-6-oxidanylhept-1-enyl]phenyl]-1H-pyrimidin-2-ylidene]pyridin-3-one

Systemtic Name: (6E)-6-[5-[4-[(E)-6-oxidanylhept-1-enyl]phenyl]-1H-pyrimidin-2-ylidene]pyridin-3-one Openeye Name: (6E)-6-[5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyrimidin-2-ylidene]pyridin-3-one CAS Name: (6E)-6-[5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyrimidin-2-ylidene]-3-pyridinone IUPAC Name: (6E)-6-[5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyrimidin-2-ylidene]pyridin-3-one Traditional Name: (6E)-6-[5-[4-[(E)-6-hydroxyhept-1-enyl]phenyl]-1H-pyrimidin-2-ylidene]pyridin-3-one Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CC1=CC=C(C=C1)C2=CNC(=C3C=CC(=O)C=N3)N=C2)O

Isomeric SMILES

CC(CCC/C=C/C1=CC=C(C=C1)C2=CN/C(=C\3/C=CC(=O)C=N3)/N=C2)O

InChI

InChI=1S/C22H23N3O2/c1-16(26)5-3-2-4-6-17-7-9-18(10-8-17)19-13-24-22(25-14-19)21-12-11-20(27)15-23-21/h4,6-16,24,26H,2-3,5H2,1H3/b6-4+,22-21+