8-(cyclohexylamino)-3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C2=C(N=C1NC3CCCCC3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C18H29N5O4/c1-11(2)27-10-13(24)9-23-14-15(22(3)18(26)21-16(14)25)20-17(23)19-12-7-5-4-6-8-12/h11-13,24H,4-10H2,1-3H3,(H,19,20)(H,21,25,26)/t13-/m0/s1