8-(azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 8-(azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(1-azepanyl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(azepan-1-yl)-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C14H21N5O3 MolecularWeight: 307.34824

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCO

InChI

InChI=1S/C14H21N5O3/c1-17-11-10(12(21)16-14(17)22)19(8-9-20)13(15-11)18-6-4-2-3-5-7-18/h20H,2-9H2,1H3,(H,16,21,22)