3,6-dimethyl-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,6-dimethyl-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,6-dimethyl-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,6-dimethyl-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(5-keto-3-pyrazolin-3-yl)methylthio]-3,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C12H12N4O2S2 MolecularWeight: 308.37928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)C)SCC3=CC(=O)NN3

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)C)SCC3=CC(=O)NN3

InChI

InChI=1S/C12H12N4O2S2/c1-6-3-8-10(20-6)13-12(16(2)11(8)18)19-5-7-4-9(17)15-14-7/h3-4H,5H2,1-2H3,(H2,14,15,17)