3-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[[5-(4-isopropylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[[5-(4-propan-2-ylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[(5-p-cumenylthieno[2,3-d]pyrimidin-4-yl)amino]propionic acid Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NCCC(=O)O

InChI

InChI=1S/C18H19N3O2S/c1-11(2)12-3-5-13(6-4-12)14-9-24-18-16(14)17(20-10-21-18)19-8-7-15(22)23/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)(H,19,20,21)