1,3-dimethyl-7-(4-oxidanylidene-4-thiophen-2-yl-butyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(4-oxidanylidene-4-thiophen-2-yl-butyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-oxo-4-(2-thienyl)butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(4-oxo-4-thiophen-2-ylbutyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(4-oxo-4-thiophen-2-ylbutyl)purine-2,6-dione Traditional Name: 7-[4-keto-4-(2-thienyl)butyl]-1,3-dimethyl-xanthine Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)C3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)C3=CC=CS3

InChI

InChI=1S/C15H16N4O3S/c1-17-13-12(14(21)18(2)15(17)22)19(9-16-13)7-3-5-10(20)11-6-4-8-23-11/h4,6,8-9H,3,5,7H2,1-2H3