3,7-dimethyl-1-prop-2-ynyl-8-thiophen-2-yl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-prop-2-ynyl-8-thiophen-2-yl-purine-2,6-dione Openeye Name: 3,7-dimethyl-1-prop-2-ynyl-8-(2-thienyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-prop-2-ynyl-8-thiophen-2-ylpurine-2,6-dione IUPAC Name: 3,7-dimethyl-1-prop-2-ynyl-8-thiophen-2-ylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-propargyl-8-(2-thienyl)xanthine Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=CS3)N(C(=O)N(C2=O)CC#C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=CS3)N(C(=O)N(C2=O)CC#C)C

InChI

InChI=1S/C14H12N4O2S/c1-4-7-18-13(19)10-12(17(3)14(18)20)15-11(16(10)2)9-6-5-8-21-9/h1,5-6,8H,7H2,2-3H3