1,3-dimethyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-1,3-dimethyl-8-pyrrolidino-xanthine Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)C[C@H](COCC=C)O

InChI

InChI=1S/C17H25N5O4/c1-4-9-26-11-12(23)10-22-13-14(18-16(22)21-7-5-6-8-21)19(2)17(25)20(3)15(13)24/h4,12,23H,1,5-11H2,2-3H3/t12-/m1/s1