3-methyl-8-(methylamino)-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(methylamino)-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-(methylamino)xanthine Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CC(COCC=C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CNC1=NC2=C(N1C[C@H](COCC=C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H19N5O4/c1-4-5-22-7-8(19)6-18-9-10(15-12(18)14-2)17(3)13(21)16-11(9)20/h4,8,19H,1,5-7H2,2-3H3,(H,14,15)(H,16,20,21)/t8-/m1/s1