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

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-25-20(24)17-11(2)16-18(22-12(3)23-19(16)28-17)21-9-13-10-26-14-7-5-6-8-15(14)27-13/h5-8,13H,4,9-10H2,1-3H3,(H,21,22,23)