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

Systemtic Name: 7-butyl-1,3-dimethyl-8-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 7-butyl-8-[[2-keto-2-[(2S)-2-methylpiperidino]ethyl]thio]-1,3-dimethyl-xanthine Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3CCCCC3C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3CCCC[C@@H]3C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H29N5O3S/c1-5-6-10-24-15-16(21(3)19(27)22(4)17(15)26)20-18(24)28-12-14(25)23-11-8-7-9-13(23)2/h13H,5-12H2,1-4H3/t13-/m0/s1