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

Systemtic Name: 2-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-methyl-propanoic acid Openeye Name: 2-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-methyl-propanoic acid CAS Name: 2-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanoic acid Traditional Name: 2-methyl-2-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]propionic acid Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-5-25-13-8-6-12(7-9-13)14-11(2)26-17-15(14)16(20-10-21-17)22-19(3,4)18(23)24/h6-10H,5H2,1-4H3,(H,23,24)(H,20,21,22)