1,3-dimethyl-7-(3-oxidanylbutan-2-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-oxidanylbutan-2-yl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-1-methyl-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-hydroxybutan-2-yl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-hydroxybutan-2-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-1-methyl-propyl)-1,3-dimethyl-xanthine Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C(C)O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H16N4O3/c1-6(7(2)16)15-5-12-9-8(15)10(17)14(4)11(18)13(9)3/h5-7,16H,1-4H3