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

Systemtic Name: 1,3-dimethyl-7-[5-methyl-3,6-bis(oxidanylidene)-2-phenyl-oxan-2-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(5-methyl-3,6-dioxo-2-phenyl-tetrahydropyran-2-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(5-methyl-3,6-dioxo-2-phenyl-2-oxanyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(5-methyl-3,6-dioxo-2-phenyloxan-2-yl)purine-2,6-dione Traditional Name: 7-(3,6-diketo-5-methyl-2-phenyl-tetrahydropyran-2-yl)-1,3-dimethyl-xanthine Formula: C19H18N4O5 MolecularWeight: 382.37002

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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)N4C)C

Isomeric SMILES

CC1CC(=O)C(OC1=O)(C2=CC=CC=C2)N3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H18N4O5/c1-11-9-13(24)19(28-17(11)26,12-7-5-4-6-8-12)23-10-20-15-14(23)16(25)22(3)18(27)21(15)2/h4-8,10-11H,9H2,1-3H3