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

Systemtic Name: 1,3-dimethyl-7-[6-methyl-4,7-bis(oxidanylidene)oxepan-2-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(6-methyl-4,7-dioxo-oxepan-2-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(6-methyl-4,7-dioxo-2-oxepanyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(6-methyl-4,7-dioxooxepan-2-yl)purine-2,6-dione Traditional Name: 7-(4,7-diketo-6-methyl-oxepan-2-yl)-1,3-dimethyl-xanthine Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(OC1=O)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CC(=O)CC(OC1=O)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H16N4O5/c1-7-4-8(19)5-9(23-13(7)21)18-6-15-11-10(18)12(20)17(3)14(22)16(11)2/h6-7,9H,4-5H2,1-3H3