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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCCC3C4=CC=CS4

InChI

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