7-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4-(azepan-1-yl)-4-oxidanylidene-butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-(azepan-1-yl)-4-oxo-butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-(1-azepanyl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-(azepan-1-yl)-4-oxobutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-(azepan-1-yl)-4-keto-butyl]-1,3-dimethyl-xanthine Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O3/c1-19-15-14(16(24)20(2)17(19)25)22(12-18-15)11-7-8-13(23)21-9-5-3-4-6-10-21/h12H,3-11H2,1-2H3