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

Systemtic Name: 8-azanyl-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-amino-3-methyl-purine-2,6-dione CAS Name: 8-amino-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-amino-3-methyl-xanthine Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4/c1-3-4-21-6-7(18)5-17-8-9(14-11(17)13)16(2)12(20)15-10(8)19/h3,7,18H,1,4-6H2,2H3,(H2,13,14)(H,15,19,20)/t7-/m1/s1