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

Systemtic Name: 5-methyl-4-[phenyl-(phenylmethyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(N-benzylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-(N-(phenylmethyl)anilino)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(N-benzylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(N-benzylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N(CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N(CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H17N3O2S/c1-14-17-19(22-13-23-20(17)27-18(14)21(25)26)24(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-11,13H,12H2,1H3,(H,25,26)