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

Systemtic Name: 7-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(azepan-1-yl)-3-oxo-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(1-azepanyl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(azepan-1-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(azepan-1-yl)-3-keto-propyl]-1,3-dimethyl-xanthine Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O3/c1-18-14-13(15(23)19(2)16(18)24)21(11-17-14)10-7-12(22)20-8-5-3-4-6-9-20/h11H,3-10H2,1-2H3