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

Systemtic Name: 3,7-dimethyl-1-[3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propyl]xanthine Formula: C19H24N6O4S2 MolecularWeight: 464.56166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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