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

Systemtic Name: 1-prop-2-ynyl-8-thiophen-2-yl-3,7-dihydropurine-2,6-dione Openeye Name: 1-prop-2-ynyl-8-(2-thienyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-prop-2-ynyl-8-thiophen-2-yl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-prop-2-ynyl-8-thiophen-2-yl-3,7-dihydropurine-2,6-dione Traditional Name: 1-propargyl-8-(2-thienyl)-7H-xanthine Formula: C12H8N4O2S MolecularWeight: 272.28252

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CS3

Isomeric SMILES

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C12H8N4O2S/c1-2-5-16-11(17)8-10(15-12(16)18)14-9(13-8)7-4-3-6-19-7/h1,3-4,6H,5H2,(H,13,14)(H,15,18)