1,3-dimethyl-8-prop-2-ynylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-prop-2-ynylsulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-prop-2-ynylsulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(prop-2-ynylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-prop-2-ynylsulfanyl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(propargylthio)-7H-purine-2,6-quinone Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC#C

InChI

InChI=1S/C10H10N4O2S/c1-4-5-17-9-11-6-7(12-9)13(2)10(16)14(3)8(6)15/h1H,5H2,2-3H3,(H,11,12)