4-[(5-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid

Systemtic Name: 4-[(5-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid Openeye Name: 4-[(5-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid CAS Name: 4-[(5-phenyl-4-thieno[2,3-d]pyrimidin-1-iumyl)amino]benzoic acid IUPAC Name: 4-[(5-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid Traditional Name: 4-[(5-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid Formula: C19H14N3O2S+ MolecularWeight: 348.39836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=[NH+]C=NC(=C23)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=[NH+]C=NC(=C23)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H13N3O2S/c23-19(24)13-6-8-14(9-7-13)22-17-16-15(12-4-2-1-3-5-12)10-25-18(16)21-11-20-17/h1-11H,(H,23,24)(H,20,21,22)/p+1