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

Systemtic Name: 8-(3-methoxypropylamino)-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-(3-methoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(3-methoxypropylamino)-3-methyl-xanthine Formula: C16H25N5O5 MolecularWeight: 367.4002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O5/c1-4-7-26-10-11(22)9-21-12-13(20(2)16(24)19-14(12)23)18-15(21)17-6-5-8-25-3/h4,11,22H,1,5-10H2,2-3H3,(H,17,18)(H,19,23,24)/t11-/m1/s1