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

Systemtic Name: 4-[(4-tert-butylphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-tert-butylanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(4-tert-butylanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-tert-butylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-tert-butylanilino)-5-methyl-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:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

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