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

Systemtic Name: ethyl 4-(2,2-diethoxyethylamino)-5-methyl-2-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzyl-4-(2,2-diethoxyethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2,2-diethoxyethylamino)-5-methyl-2-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-(2,2-diethoxyethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-4-(2,2-diethoxyethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC1=C2C(=C(SC2=NC(=N1)CC3=CC=CC=C3)C(=O)OCC)C)OCC

Isomeric SMILES

CCOC(CNC1=C2C(=C(SC2=NC(=N1)CC3=CC=CC=C3)C(=O)OCC)C)OCC

InChI

InChI=1S/C23H29N3O4S/c1-5-28-18(29-6-2)14-24-21-19-15(4)20(23(27)30-7-3)31-22(19)26-17(25-21)13-16-11-9-8-10-12-16/h8-12,18H,5-7,13-14H2,1-4H3,(H,24,25,26)