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

Systemtic Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[[5-(4-ethoxyphenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[(6-methyl-5-p-phenetyl-thieno[2,3-d]pyrimidin-4-yl)amino]propionic acid Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-3-24-13-6-4-12(5-7-13)15-11(2)25-18-16(15)17(20-10-21-18)19-9-8-14(22)23/h4-7,10H,3,8-9H2,1-2H3,(H,22,23)(H,19,20,21)