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

Systemtic Name: 8-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[[2-(2-ethylpiperidino)-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)N3CCCCC3CC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)N3CCCCC3CC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H29N5O3S/c1-5-10-24-15-16(21(3)19(27)22(4)17(15)26)20-18(24)28-12-14(25)23-11-8-7-9-13(23)6-2/h13H,5-12H2,1-4H3