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

Systemtic Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride Openeye Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride CAS Name: 3-[(6-phenyl-4-thieno[2,3-d]pyrimidin-1-iumyl)amino]benzoic acid chloride IUPAC Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride Traditional Name: 3-[(6-phenylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride Formula: C19H14ClN3O2S MolecularWeight: 383.85136

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O2S.ClH/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);1H