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

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(hydroxymethyl)benzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)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 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC=C(C=C4)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)C4=CC=C(C=C4)CO

InChI

InChI=1S/C21H16N2O4S/c24-10-13-6-8-15(9-7-13)21(26)27-11-17-22-19(25)18-16(12-28-20(18)23-17)14-4-2-1-3-5-14/h1-9,12,24H,10-11H2,(H,22,23,25)