(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(methylamino)benzoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(methylamino)benzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H17N3O3S/c1-22-16-10-6-5-9-14(16)21(26)27-11-17-23-19(25)18-15(12-28-20(18)24-17)13-7-3-2-4-8-13/h2-10,12,22H,11H2,1H3,(H,23,24,25)