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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CCOC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CCOC

InChI

InChI=1S/C16H25N5O3/c1-18-13-12(14(22)19(2)16(18)23)21(10-11-24-3)15(17-13)20-8-6-4-5-7-9-20/h4-11H2,1-3H3