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

Systemtic Name: ethyl 5-methyl-4-(oxolan-2-ylmethylamino)-2-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzyl-5-methyl-4-(tetrahydrofuran-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-oxolanylmethylamino)-2-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-5-methyl-4-(tetrahydrofurfurylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NCC4CCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NCC4CCCO4)C

InChI

InChI=1S/C22H25N3O3S/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/h4-6,8-9,16H,3,7,10-13H2,1-2H3,(H,23,24,25)