3-[(5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride

Systemtic Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride Openeye Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride CAS Name: 3-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidin-1-iumyl)amino]benzoic acid chloride IUPAC Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride Traditional Name: 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-1-ium-4-yl)amino]benzoic acid chloride Formula: C15H14ClN3O2S MolecularWeight: 335.80856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=[NH+]C=NC(=C12)NC3=CC=CC(=C3)C(=O)O)C.[Cl-]

Isomeric SMILES

CC1=C(SC2=[NH+]C=NC(=C12)NC3=CC=CC(=C3)C(=O)O)C.[Cl-]

InChI

InChI=1S/C15H13N3O2S.ClH/c1-8-9(2)21-14-12(8)13(16-7-17-14)18-11-5-3-4-10(6-11)15(19)20;/h3-7H,1-2H3,(H,19,20)(H,16,17,18);1H