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

Systemtic Name: 1,3-dimethyl-7-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(5-pyrrolidinosulfonyl-2-furyl)methyl]xanthine Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C16H19N5O5S/c1-18-14-13(15(22)19(2)16(18)23)20(10-17-14)9-11-5-6-12(26-11)27(24,25)21-7-3-4-8-21/h5-6,10H,3-4,7-9H2,1-2H3