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

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-methyl-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=CN=C2S1)NCC3COC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NCC3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C19H19N3O4S/c1-3-24-19(23)16-11(2)15-17(21-10-22-18(15)27-16)20-8-12-9-25-13-6-4-5-7-14(13)26-12/h4-7,10,12H,3,8-9H2,1-2H3,(H,20,21,22)