3-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H24N6O5 MolecularWeight: 452.46316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)CCC

InChI

InChI=1S/C22H24N6O5/c1-3-5-11-27-18-17(19(29)24-22(27)33)26(10-4-2)15(23-18)12-28-20(30)14-9-7-6-8-13(14)16(25-28)21(31)32/h6-9H,3-5,10-12H2,1-2H3,(H,31,32)(H,24,29,33)