3-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonylamino)-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-(1,3-benzodioxole-5-carbonylamino)-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 3-(1,3-benzodioxole-5-carbonylamino)-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(piperonyloylamino)-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H10N3O6S2- MolecularWeight: 404.3971

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=S)N2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)[O-]

InChI

InChI=1S/C16H11N3O6S2/c1-6-10-13(27-11(6)15(22)23)17-16(26)19(14(10)21)18-12(20)7-2-3-8-9(4-7)25-5-24-8/h2-4H,5H2,1H3,(H,17,26)(H,18,20)(H,22,23)/p-1