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

Systemtic Name: 8-(dimethylamino)-3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(dimethylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(dimethylamino)-3-methyl-xanthine Formula: C14H21N5O4 MolecularWeight: 323.34764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)C[C@H](COCC=C)O

InChI

InChI=1S/C14H21N5O4/c1-5-6-23-8-9(20)7-19-10-11(15-13(19)17(2)3)18(4)14(22)16-12(10)21/h5,9,20H,1,6-8H2,2-4H3,(H,16,21,22)/t9-/m1/s1