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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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