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

Systemtic Name: 1-[4-(1,3-dioxolan-4-yl)butyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[4-(1,3-dioxolan-4-yl)butyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[4-(1,3-dioxolan-4-yl)butyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[4-(1,3-dioxolan-4-yl)butyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[4-(1,3-dioxolan-4-yl)butyl]-3,7-dimethyl-xanthine Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC3COCO3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC3COCO3

InChI

InChI=1S/C14H20N4O4/c1-16-8-15-12-11(16)13(19)18(14(20)17(12)2)6-4-3-5-10-7-21-9-22-10/h8,10H,3-7,9H2,1-2H3