1,3-dimethyl-7-[3-(2-oxidanylpropylamino)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(2-oxidanylpropylamino)propyl]purine-2,6-dione Openeye Name: 7-[3-(2-hydroxypropylamino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(2-hydroxypropylamino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(2-hydroxypropylamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(2-hydroxypropylamino)propyl]-1,3-dimethyl-xanthine Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(CNCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C13H21N5O3/c1-9(19)7-14-5-4-6-18-8-15-11-10(18)12(20)17(3)13(21)16(11)2/h8-9,14,19H,4-7H2,1-3H3