3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoate IUPAC Name: 3-[[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[5-(3,4-dimethylphenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Formula: C23H19N2O3S- MolecularWeight: 403.47356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)[O-])C)C

InChI

InChI=1S/C23H20N2O3S/c1-13-7-8-17(9-14(13)2)19-15(3)29-21-20(19)22(26)25(12-24-21)11-16-5-4-6-18(10-16)23(27)28/h4-10,12H,11H2,1-3H3,(H,27,28)/p-1