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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanylpropyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxypropyl]-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxypropyl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxypropyl]-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C12H19N5O4 MolecularWeight: 297.31036

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C12H19N5O4/c1-7(19)6-17-8-9(14-11(17)13-4-3-5-18)16(2)12(21)15-10(8)20/h7,18-19H,3-6H2,1-2H3,(H,13,14)(H,15,20,21)/t7-/m1/s1