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

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-1,3-dimethyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-1,3-dimethyl-8-piperidino-xanthine Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)C[C@H](COCC=C)O

InChI

InChI=1S/C18H27N5O4/c1-4-10-27-12-13(24)11-23-14-15(20(2)18(26)21(3)16(14)25)19-17(23)22-8-6-5-7-9-22/h4,13,24H,1,5-12H2,2-3H3/t13-/m1/s1