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

Systemtic Name: 8-(azepan-1-yl)-3-methyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-[(2R)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-[(2R)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-[(2R)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-[(2R)-2-hydroxypropyl]-3-methyl-xanthine Formula: C15H23N5O3 MolecularWeight: 321.37482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C15H23N5O3/c1-10(21)9-20-11-12(18(2)15(23)17-13(11)22)16-14(20)19-7-5-3-4-6-8-19/h10,21H,3-9H2,1-2H3,(H,17,22,23)/t10-/m1/s1