6-[2-azanyl-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2-azanyl-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(2-phenylthiazol-4-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(2-phenyl-4-thiazolyl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(2-phenylthiazol-4-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=CN=C(N2)N)C3=CSC(=N3)C4=CC=CC=C4)C(=O)C=C1OC

Isomeric SMILES

CCC1=CC(=C2C(=CN=C(N2)N)C3=CSC(=N3)C4=CC=CC=C4)C(=O)C=C1OC

InChI

InChI=1S/C22H20N4O2S/c1-3-13-9-15(18(27)10-19(13)28-2)20-16(11-24-22(23)26-20)17-12-29-21(25-17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H3,23,24,26)