[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17N3O6S/c1-9-15-17(24)21-10(2)22-18(15)29-16(9)19(25)26-7-14(23)20-6-11-3-4-12-13(5-11)28-8-27-12/h3-5H,6-8H2,1-2H3,(H,20,23)(H,21,22,24)