1,3-dimethyl-7-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethyl]xanthine Formula: C19H24N6O4S2 MolecularWeight: 464.56166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H24N6O4S2/c1-22-17-16(18(26)23(2)19(22)27)24(13-21-17)10-11-30-15-7-6-14(12-20-15)31(28,29)25-8-4-3-5-9-25/h6-7,12-13H,3-5,8-11H2,1-2H3