1-methyl-7-[5-methyl-3,6-bis(oxidanylidene)-2-phenyl-oxan-2-yl]-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-methyl-7-[5-methyl-3,6-bis(oxidanylidene)-2-phenyl-oxan-2-yl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-7-(5-methyl-3,6-dioxo-2-phenyl-tetrahydropyran-2-yl)purine-2,6-dione CAS Name: 1-methyl-7-(5-methyl-3,6-dioxo-2-phenyl-2-oxanyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-methyl-7-(5-methyl-3,6-dioxo-2-phenyloxan-2-yl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(3,6-diketo-5-methyl-2-phenyl-tetrahydropyran-2-yl)-3-isobutyl-1-methyl-xanthine Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(OC1=O)(C2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4CC(C)C)C

Isomeric SMILES

CC1CC(=O)C(OC1=O)(C2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4CC(C)C)C

InChI

InChI=1S/C22H24N4O5/c1-13(2)11-25-18-17(19(28)24(4)21(25)30)26(12-23-18)22(15-8-6-5-7-9-15)16(27)10-14(3)20(29)31-22/h5-9,12-14H,10-11H2,1-4H3