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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N5O3/c1-18-12-11(13(21)17-15(18)22)20(9-10-23-2)14(16-12)19-7-5-3-4-6-8-19/h3-10H2,1-2H3,(H,17,21,22)