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

Systemtic Name: 8-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-1,3-dimethyl-7-propyl-xanthine Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)N3C(CCCC3C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3C(CCCC3C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H29N5O3S/c1-6-10-23-15-16(21(4)19(27)22(5)17(15)26)20-18(23)28-11-14(25)24-12(2)8-7-9-13(24)3/h12-13H,6-11H2,1-5H3