8-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-butyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-butyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-butyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-butyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-butyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-butyl-1,3-dimethyl-xanthine Formula: C19H29N5O3S MolecularWeight: 407.53026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3CCCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3CCCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H29N5O3S/c1-4-5-12-24-15-16(21(2)19(27)22(3)17(15)26)20-18(24)28-13-14(25)23-10-8-6-7-9-11-23/h4-13H2,1-3H3