3-methyl-9-(2-oxidanylidene-2-thiophen-2-yl-ethyl)purine-2,6-dione

Systemtic Name: 3-methyl-9-(2-oxidanylidene-2-thiophen-2-yl-ethyl)purine-2,6-dione Openeye Name: 3-methyl-9-[2-oxo-2-(2-thienyl)ethyl]purine-2,6-dione CAS Name: 3-methyl-9-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione IUPAC Name: 3-methyl-9-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione Traditional Name: 9-[2-keto-2-(2-thienyl)ethyl]-3-methyl-xanthine Formula: C12H10N4O3S MolecularWeight: 290.2978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=CN2CC(=O)C3=CC=CS3

InChI

InChI=1S/C12H10N4O3S/c1-15-11-9(10(18)14-12(15)19)13-6-16(11)5-7(17)8-3-2-4-20-8/h2-4,6H,5H2,1H3,(H,14,18,19)