8-(azepan-1-yl)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C18H29N5O4 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C18H29N5O4/c1-12(2)27-11-13(24)10-23-14-15(21(3)18(26)20-16(14)25)19-17(23)22-8-6-4-5-7-9-22/h12-13,24H,4-11H2,1-3H3,(H,20,25,26)