3,7-dimethyl-1-[2-oxidanylidene-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[2-oxo-2-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1-[2-keto-2-[(2R)-2-(2-thienyl)pyrrolidino]ethyl]-3,7-dimethyl-xanthine Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C17H19N5O3S/c1-19-10-18-15-14(19)16(24)22(17(25)20(15)2)9-13(23)21-7-3-5-11(21)12-6-4-8-26-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3/t11-/m1/s1