2,6-dimethoxy-4-[(5E)-5-(2-morpholin-4-yl-1H-pyrimidin-6-ylidene)thiophen-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dimethoxy-4-[(5E)-5-(2-morpholin-4-yl-1H-pyrimidin-6-ylidene)thiophen-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-dimethoxy-4-[(5E)-5-(2-morpholino-1H-pyrimidin-6-ylidene)-2-thienylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-dimethoxy-4-[(5E)-5-[2-(4-morpholinyl)-1H-pyrimidin-6-ylidene]-2-thiophenylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-dimethoxy-4-[(5E)-5-(2-morpholin-4-yl-1H-pyrimidin-6-ylidene)thiophen-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-dimethoxy-4-[(5E)-5-(2-morpholino-1H-pyrimidin-6-ylidene)-2-thienylidene]cyclohexa-2,5-dien-1-one Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C=CC(=C3C=CN=C(N3)N4CCOCC4)S2)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C2C=C/C(=C\3/C=CN=C(N3)N4CCOCC4)/S2)C=C(C1=O)OC

InChI

InChI=1S/C20H21N3O4S/c1-25-15-11-13(12-16(26-2)19(15)24)17-3-4-18(28-17)14-5-6-21-20(22-14)23-7-9-27-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)/b18-14+