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

Systemtic Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-(pyridin-4-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-(4-pyridylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(phenylthio)methyl]-4-(pyridin-4-ylmethylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-(pyridin-4-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-[(phenylthio)methyl]-4-(4-pyridylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCC4=CC=NC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)NCC4=CC=NC=C4)C

InChI

InChI=1S/C23H22N4O2S2/c1-3-29-23(28)20-15(2)19-21(25-13-16-9-11-24-12-10-16)26-18(27-22(19)31-20)14-30-17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,25,26,27)