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

Systemtic Name: 3-[5-(3,4-dimethylphenyl)-2,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(3,4-dimethylphenyl)-2,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(3,4-dimethylphenyl)-2,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(3,4-dimethylphenyl)-2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(3,4-dimethylphenyl)-4-keto-2,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C19H19N2O3S- MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)N(C(=N3)C)CCC(=O)[O-])C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC3=C2C(=O)N(C(=N3)C)CCC(=O)[O-])C)C

InChI

InChI=1S/C19H20N2O3S/c1-10-5-6-14(9-11(10)2)16-12(3)25-18-17(16)19(24)21(13(4)20-18)8-7-15(22)23/h5-6,9H,7-8H2,1-4H3,(H,22,23)/p-1