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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)[O-])C

InChI

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