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

Systemtic Name: 1,3,7-trimethyl-8-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 8-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-1,3,7-trimethyl-xanthine Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H23N5O3S/c1-10-6-5-7-21(8-10)11(22)9-25-15-17-13-12(18(15)2)14(23)20(4)16(24)19(13)3/h10H,5-9H2,1-4H3/t10-/m0/s1