(6E)-6-(2-azanyl-5-quinolin-2-yl-1H-pyrimidin-6-ylidene)-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-(2-azanyl-5-quinolin-2-yl-1H-pyrimidin-6-ylidene)-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-5-(2-quinolyl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-5-(2-quinolinyl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-(2-amino-5-quinolin-2-yl-1H-pyrimidin-6-ylidene)-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-5-(2-quinolyl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=CN=C(N2)N)C3=NC4=CC=CC=C4C=C3)C(=O)C=C1OC

Isomeric SMILES

CCC1=C/C(=C\2/C(=CN=C(N2)N)C3=NC4=CC=CC=C4C=C3)/C(=O)C=C1OC

InChI

InChI=1S/C22H20N4O2/c1-3-13-10-15(19(27)11-20(13)28-2)21-16(12-24-22(23)26-21)18-9-8-14-6-4-5-7-17(14)25-18/h4-12H,3H2,1-2H3,(H3,23,24,26)/b21-15+