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

Systemtic Name: ethyl 5-methyl-2-(phenylmethyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzyl-5-methyl-4-(2-pyridylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(phenylmethyl)-4-(2-pyridinylmethylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-5-methyl-4-(2-pyridylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NCC4=CC=CC=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NCC4=CC=CC=N4)C

InChI

InChI=1S/C23H22N4O2S/c1-3-29-23(28)20-15(2)19-21(25-14-17-11-7-8-12-24-17)26-18(27-22(19)30-20)13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,25,26,27)