3-butyl-7-ethyl-8-[(4-oxidanylidenebenzo[g]quinazolin-3-yl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[(4-oxidanylidenebenzo[g]quinazolin-3-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(4-oxobenzo[g]quinazolin-3-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(4-oxo-3-benzo[g]quinazolinyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(4-oxobenzo[g]quinazolin-3-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(4-ketobenzo[g]quinazolin-3-yl)methyl]xanthine Formula: C24H24N6O3 MolecularWeight: 444.48576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=NC4=CC5=CC=CC=C5C=C4C3=O)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=NC4=CC5=CC=CC=C5C=C4C3=O)CC

InChI

InChI=1S/C24H24N6O3/c1-3-5-10-30-21-20(22(31)27-24(30)33)29(4-2)19(26-21)13-28-14-25-18-12-16-9-7-6-8-15(16)11-17(18)23(28)32/h6-9,11-12,14H,3-5,10,13H2,1-2H3,(H,27,31,33)