(6E)-6-(6-decoxy-1H-pyrimidin-2-ylidene)-5-hept-1-ynyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(6-decoxy-1H-pyrimidin-2-ylidene)-5-hept-1-ynyl-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-(6-decoxy-1H-pyrimidin-2-ylidene)-5-hept-1-ynyl-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-(6-decoxy-1H-pyrimidin-2-ylidene)-5-hept-1-ynyl-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(6-decoxy-1H-pyrimidin-2-ylidene)-5-hept-1-ynylcyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-(6-decoxy-1H-pyrimidin-2-ylidene)-5-hept-1-ynyl-cyclohexa-2,4-dien-1-one Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=NC(=C2C(=O)C=CC=C2C#CCCCCC)N1

Isomeric SMILES

CCCCCCCCCCOC1=CC=N/C(=C\2/C(=O)C=CC=C2C#CCCCCC)/N1

InChI

InChI=1S/C27H38N2O2/c1-3-5-7-9-10-11-13-15-22-31-25-20-21-28-27(29-25)26-23(18-16-19-24(26)30)17-14-12-8-6-4-2/h16,18-21,29H,3-13,15,22H2,1-2H3/b27-26-