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

Systemtic Name: 3,7-dimethyl-1-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 1-(2-hydroxypropyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(2-hydroxypropyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-hydroxypropyl)-3,7-dimethyl-xanthine Formula: C10H14N4O3 MolecularWeight: 238.24316

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(CN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C10H14N4O3/c1-6(15)4-14-9(16)7-8(11-5-12(7)2)13(3)10(14)17/h5-6,15H,4H2,1-3H3