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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-4-25-14-7-5-13(6-8-14)16-12(2)26-19-17(16)18(20-11-21-19)22(3)10-9-15(23)24/h5-8,11H,4,9-10H2,1-3H3,(H,23,24)