1-methyl-7-[6-methyl-4,7-bis(oxidanylidene)oxepan-2-yl]-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-methyl-7-[6-methyl-4,7-bis(oxidanylidene)oxepan-2-yl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-7-(6-methyl-4,7-dioxo-oxepan-2-yl)purine-2,6-dione CAS Name: 1-methyl-7-(6-methyl-4,7-dioxo-2-oxepanyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-methyl-7-(6-methyl-4,7-dioxooxepan-2-yl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(4,7-diketo-6-methyl-oxepan-2-yl)-3-isobutyl-1-methyl-xanthine Formula: C17H22N4O5 MolecularWeight: 362.38038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(OC1=O)N2C=NC3=C2C(=O)N(C(=O)N3CC(C)C)C

Isomeric SMILES

CC1CC(=O)CC(OC1=O)N2C=NC3=C2C(=O)N(C(=O)N3CC(C)C)C

InChI

InChI=1S/C17H22N4O5/c1-9(2)7-20-14-13(15(23)19(4)17(20)25)21(8-18-14)12-6-11(22)5-10(3)16(24)26-12/h8-10,12H,5-7H2,1-4H3