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

Systemtic Name: ethyl 5-methyl-2-(phenylmethyl)-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzyl-5-methyl-4-(2-thienylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(phenylmethyl)-4-(thiophen-2-ylmethylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-5-methyl-4-(2-thenylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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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=CS4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NCC4=CC=CS4)C

InChI

InChI=1S/C22H21N3O2S2/c1-3-27-22(26)19-14(2)18-20(23-13-16-10-7-11-28-16)24-17(25-21(18)29-19)12-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H,23,24,25)