3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=C(C=CC(=C4)C(=O)O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=C(C=CC(=C4)C(=O)O)C)C

InChI

InChI=1S/C23H21N3O3S/c1-4-29-17-9-7-15(8-10-17)19-14(3)30-22-20(19)21(24-12-25-22)26-18-11-16(23(27)28)6-5-13(18)2/h5-12H,4H2,1-3H3,(H,27,28)(H,24,25,26)