3,7-dimethyl-1-[4-(2-oxidanylidene-1,3-dioxolan-4-yl)butyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[4-(2-oxidanylidene-1,3-dioxolan-4-yl)butyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[4-(2-oxo-1,3-dioxolan-4-yl)butyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[4-(2-oxo-1,3-dioxolan-4-yl)butyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[4-(2-oxo-1,3-dioxolan-4-yl)butyl]purine-2,6-dione Traditional Name: 1-[4-(2-keto-1,3-dioxolan-4-yl)butyl]-3,7-dimethyl-xanthine Formula: C14H18N4O5 MolecularWeight: 322.31652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC3COC(=O)O3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC3COC(=O)O3

InChI

InChI=1S/C14H18N4O5/c1-16-8-15-11-10(16)12(19)18(13(20)17(11)2)6-4-3-5-9-7-22-14(21)23-9/h8-9H,3-7H2,1-2H3