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

Systemtic Name: 7-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(azocan-1-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-azocanyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(azocan-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(azocan-1-yl)-2-keto-ethyl]-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)CC(=O)N3CCCCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCCCCC3

InChI

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