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

Systemtic Name: methyl 4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C21H17N3O2S MolecularWeight: 375.44358

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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)OC

Isomeric SMILES

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

InChI

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