4-[ethyl-(phenylmethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[ethyl-(phenylmethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[benzyl(ethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[ethyl-(phenylmethyl)amino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[benzyl(ethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[benzyl(ethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

InChI

InChI=1S/C18H19N3O2S/c1-4-21(10-13-8-6-5-7-9-13)16-14-11(2)15(18(22)23)24-17(14)20-12(3)19-16/h5-9H,4,10H2,1-3H3,(H,22,23)