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

Systemtic Name: 3,7-dimethyl-1-[3-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylpropyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylpropyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]propyl]xanthine Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N6O3S/c1-23-13-22-17-16(23)19(28)26(20(29)24(17)2)10-5-11-30-15-7-6-14(12-21-15)18(27)25-8-3-4-9-25/h6-7,12-13H,3-5,8-11H2,1-2H3