(4Z)-4-(6-morpholin-4-yl-9-phenyl-3H-purin-2-ylidene)-2-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-(6-morpholin-4-yl-9-phenyl-3H-purin-2-ylidene)-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-2-hydroxy-4-(6-morpholino-9-phenyl-3H-purin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: (4Z)-2-hydroxy-4-[6-(4-morpholinyl)-9-phenyl-3H-purin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-2-hydroxy-4-(6-morpholin-4-yl-9-phenyl-3H-purin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-2-hydroxy-4-(6-morpholino-9-phenyl-3H-purin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C21H19N5O3 MolecularWeight: 389.40726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C3C=CC(=O)C(=C3)O)NC4=C2N=CN4C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=N/C(=C\3/C=CC(=O)C(=C3)O)/NC4=C2N=CN4C5=CC=CC=C5

InChI

InChI=1S/C21H19N5O3/c27-16-7-6-14(12-17(16)28)19-23-20(25-8-10-29-11-9-25)18-21(24-19)26(13-22-18)15-4-2-1-3-5-15/h1-7,12-13,24,28H,8-11H2/b19-14+