1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-7-isobutyl-purine-2,6-dione CAS Name: 1-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-7-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-1-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]xanthine Formula: C28H28N4O4 MolecularWeight: 484.54632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=C(N=CN4CC(C)C)N(C3=O)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3C(=O)C4=C(N=CN4CC(C)C)N(C3=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H28N4O4/c1-17(2)13-30-16-29-26-24(30)27(34)32(28(35)31(26)14-20-8-6-5-7-9-20)15-21-12-23(33)36-25-19(4)18(3)10-11-22(21)25/h5-12,16-17H,13-15H2,1-4H3