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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(3-isopropoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(3-isopropoxypropylamino)-3-methyl-xanthine Formula: C18H29N5O5 MolecularWeight: 395.45336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC(COCC=C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C[C@H](COCC=C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H29N5O5/c1-5-8-27-11-13(24)10-23-14-15(22(4)18(26)21-16(14)25)20-17(23)19-7-6-9-28-12(2)3/h5,12-13,24H,1,6-11H2,2-4H3,(H,19,20)(H,21,25,26)/t13-/m1/s1