3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid

Systemtic Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid Openeye Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid CAS Name: 3-[(6-phenyl-4-thieno[2,3-d]pyrimidin-1-iumyl)amino]benzoic acid IUPAC Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid Traditional Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid Formula: C19H14N3O2S+ MolecularWeight: 348.39836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(N=C[NH+]=C3S2)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(N=C[NH+]=C3S2)NC4=CC=CC(=C4)C(=O)O

InChI

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