(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C17H13ClN2O5S MolecularWeight: 392.81352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C17H13ClN2O5S/c1-8-12-15(19-6-20(2)16(12)21)26-14(8)17(22)23-5-9-3-10(18)13-11(4-9)24-7-25-13/h3-4,6H,5,7H2,1-2H3