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

Systemtic Name: 3-methyl-7-[(2-methyl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione Openeye Name: 3-methyl-7-[(2-methyl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione CAS Name: 3-methyl-7-[(2-methyl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(2-methyl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione Traditional Name: 3-methyl-7-[(2-methyl-1,3-dioxolan-4-yl)methyl]xanthine Formula: C11H14N4O4 MolecularWeight: 266.25326

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Descriptors Computed from Structure

Canonical SMILES:

CC1OCC(O1)CN2C=NC3=C2C(=O)NC(=O)N3C

Isomeric SMILES

CC1OCC(O1)CN2C=NC3=C2C(=O)NC(=O)N3C

InChI

InChI=1S/C11H14N4O4/c1-6-18-4-7(19-6)3-15-5-12-9-8(15)10(16)13-11(17)14(9)2/h5-7H,3-4H2,1-2H3,(H,13,16,17)