1-butyl-3-[1-methyl-6,7-bis(oxidanyl)-3-oxidanylidene-2H-isoquinolin-4-yl]urea

Systemtic Name: 1-butyl-3-[1-methyl-6,7-bis(oxidanyl)-3-oxidanylidene-2H-isoquinolin-4-yl]urea Openeye Name: 1-butyl-3-(6,7-dihydroxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)urea CAS Name: 1-butyl-3-(6,7-dihydroxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)urea IUPAC Name: 1-butyl-3-(6,7-dihydroxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)urea Traditional Name: 1-butyl-3-(6,7-dihydroxy-3-keto-1-methyl-2H-isoquinolin-4-yl)urea Formula: C15H19N3O4 MolecularWeight: 305.32906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C2C=C(C(=CC2=C(NC1=O)C)O)O

Isomeric SMILES

CCCCNC(=O)NC1=C2C=C(C(=CC2=C(NC1=O)C)O)O

InChI

InChI=1S/C15H19N3O4/c1-3-4-5-16-15(22)18-13-10-7-12(20)11(19)6-9(10)8(2)17-14(13)21/h6-7,19-20H,3-5H2,1-2H3,(H,17,21)(H2,16,18,22)