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

Systemtic Name: methyl 4-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: methyl 4-[(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid methyl ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S/c1-26-21(25)16-9-7-14(8-10-16)11-23-13-22-19-18(20(23)24)17(12-27-19)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3