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

Systemtic Name: 1-methyl-7-[2-methyl-3,6-bis(oxidanylidene)oxan-2-yl]-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-7-(2-methyl-3,6-dioxo-tetrahydropyran-2-yl)purine-2,6-dione CAS Name: 1-methyl-7-(2-methyl-3,6-dioxo-2-oxanyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-methyl-7-(2-methyl-3,6-dioxooxan-2-yl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(3,6-diketo-2-methyl-tetrahydropyran-2-yl)-3-isobutyl-1-methyl-xanthine Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3(C(=O)CCC(=O)O3)C

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3(C(=O)CCC(=O)O3)C

InChI

InChI=1S/C16H20N4O5/c1-9(2)7-19-13-12(14(23)18(4)15(19)24)20(8-17-13)16(3)10(21)5-6-11(22)25-16/h8-9H,5-7H2,1-4H3