2-[4-oxidanylidene-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoate

Systemtic Name: 2-[4-oxidanylidene-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: 2-[4-oxo-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[4-oxo-5-(4-phenylphenyl)-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: 2-[4-oxo-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-3-yl]butyrate Formula: C22H17N2O3S- MolecularWeight: 389.44698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c1-2-18(22(26)27)24-13-23-20-19(21(24)25)17(12-28-20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18H,2H2,1H3,(H,26,27)/p-1