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

Systemtic Name: 3,7-dimethyl-1-[4-(6-methyl-1,2-dioxan-3-yl)butyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[4-(6-methyldioxan-3-yl)butyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[4-(6-methyl-3-dioxanyl)butyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[4-(6-methyldioxan-3-yl)butyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[4-(6-methyldioxan-3-yl)butyl]xanthine Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OO1)CCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1CCC(OO1)CCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C16H24N4O4/c1-11-7-8-12(24-23-11)6-4-5-9-20-15(21)13-14(17-10-18(13)2)19(3)16(20)22/h10-12H,4-9H2,1-3H3