4-[[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid Openeye Name: 4-[[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid CAS Name: 4-[[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid Traditional Name: 4-[[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzoic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17N3O2S/c1-3-13-8-14-15(19-10(2)20-16(14)23-13)18-9-11-4-6-12(7-5-11)17(21)22/h4-8H,3,9H2,1-2H3,(H,21,22)(H,18,19,20)