ethyl 5-methyl-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[[4-(pyridin-4-ylmethyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[4-(4-pyridylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(pyridin-4-ylmethyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[4-(pyridin-4-ylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(4-pyridylmethyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)CC4=CC=NC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)CC4=CC=NC=C4)C

InChI

InChI=1S/C22H20N4O2S/c1-3-28-22(27)19-14(2)18-20(24-13-25-21(18)29-19)26-17-6-4-15(5-7-17)12-16-8-10-23-11-9-16/h4-11,13H,3,12H2,1-2H3,(H,24,25,26)