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

Systemtic Name: 3-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: 3-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 3-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Formula: C21H16N3O2S- MolecularWeight: 374.43564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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