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

Systemtic Name: 2-[4-oxidanylidene-5-phenyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-(2-benzyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-[4-oxo-5-phenyl-2-(phenylmethyl)-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-(2-benzyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(2-benzyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetate Formula: C21H15N2O3S- MolecularWeight: 375.4204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC(=O)[O-]

InChI

InChI=1S/C21H16N2O3S/c24-18(25)12-23-17(11-14-7-3-1-4-8-14)22-20-19(21(23)26)16(13-27-20)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,24,25)/p-1