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

Systemtic Name: 4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride CAS Name: 4-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid hydrochloride IUPAC Name: 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid hydrochloride Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O.Cl

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O.Cl

InChI

InChI=1S/C20H15N3O2S.ClH/c1-12-21-18(23-15-9-7-14(8-10-15)20(24)25)16-11-17(26-19(16)22-12)13-5-3-2-4-6-13;/h2-11H,1H3,(H,24,25)(H,21,22,23);1H