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

Systemtic Name: 8-(azepan-1-yl)-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-(azepan-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-3-allyloxy-2-hydroxy-propyl]-8-(azepan-1-yl)-3-methyl-xanthine Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(COCC=C)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)C[C@H](COCC=C)O

InChI

InChI=1S/C18H27N5O4/c1-3-10-27-12-13(24)11-23-14-15(21(2)18(26)20-16(14)25)19-17(23)22-8-6-4-5-7-9-22/h3,13,24H,1,4-12H2,2H3,(H,20,25,26)/t13-/m1/s1