8-(cyclohexylamino)-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-3-methyl-7-(2-oxidanyl-3-phenoxy-propyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-(2-hydroxy-3-phenoxy-propyl)-3-methyl-xanthine Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C21H27N5O4/c1-25-18-17(19(28)24-21(25)29)26(20(23-18)22-14-8-4-2-5-9-14)12-15(27)13-30-16-10-6-3-7-11-16/h3,6-7,10-11,14-15,27H,2,4-5,8-9,12-13H2,1H3,(H,22,23)(H,24,28,29)