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

Systemtic Name: 2-[5-(2,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[5-(2,4-dimethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(2,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(2,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C16H13N2O3S- MolecularWeight: 313.35102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c1-9-3-4-11(10(2)5-9)12-7-22-15-14(12)16(21)18(8-17-15)6-13(19)20/h3-5,7-8H,6H2,1-2H3,(H,19,20)/p-1