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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H19N3O4S/c1-4-24-19(23)16-10(2)15-17(21-11(3)22-18(15)27-16)20-8-12-5-6-13-14(7-12)26-9-25-13/h5-7H,4,8-9H2,1-3H3,(H,20,21,22)