8-(azepan-1-yl)-1,3-dimethyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-1,3-dimethyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(2R)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-xanthine Formula: C16H25N5O3 MolecularWeight: 335.4014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C16H25N5O3/c1-11(22)10-21-12-13(18(2)16(24)19(3)14(12)23)17-15(21)20-8-6-4-5-7-9-20/h11,22H,4-10H2,1-3H3/t11-/m1/s1