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

Systemtic Name: 3-methyl-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]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-3-methyl-8-piperidino-xanthine Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)C[C@H](COCC=C)O

InChI

InChI=1S/C17H25N5O4/c1-3-9-26-11-12(23)10-22-13-14(20(2)17(25)19-15(13)24)18-16(22)21-7-5-4-6-8-21/h3,12,23H,1,4-11H2,2H3,(H,19,24,25)/t12-/m1/s1