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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C)C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-9-14-16(19-7-11-4-5-12-13(6-11)25-8-24-12)20-10(2)21-17(14)26-15(9)18(22)23-3/h4-6H,7-8H2,1-3H3,(H,19,20,21)