methyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate chloride

Systemtic Name: methyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate chloride Openeye Name: methyl 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate chloride CAS Name: 3-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid methyl ester chloride IUPAC Name: methyl 3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate chloride Traditional Name: 3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid methyl ester chloride Formula: C21H17ClN3O2S- MolecularWeight: 410.89658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC=CC(=C3)C(=O)OC)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H17N3O2S.ClH/c1-13-17(14-7-4-3-5-8-14)18-19(22-12-23-20(18)27-13)24-16-10-6-9-15(11-16)21(25)26-2;/h3-12H,1-2H3,(H,22,23,24);1H/p-1