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

Systemtic Name: 3-[[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[[2-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[[2-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]propionic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)NCCC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC(=NC(=C23)NCCC(=O)O)C

InChI

InChI=1S/C17H17N3O2S/c1-10-3-5-12(6-4-10)13-9-23-17-15(13)16(19-11(2)20-17)18-8-7-14(21)22/h3-6,9H,7-8H2,1-2H3,(H,21,22)(H,18,19,20)