8-(3-methoxypropylamino)-3-methyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-(3-methoxypropylamino)-3-methyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methyl-xanthine Formula: C13H21N5O4 MolecularWeight: 311.33694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCCCOC)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1NCCCOC)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C13H21N5O4/c1-8(19)7-18-9-10(17(2)13(21)16-11(9)20)15-12(18)14-5-4-6-22-3/h8,19H,4-7H2,1-3H3,(H,14,15)(H,16,20,21)/t8-/m1/s1