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

Systemtic Name: 2-[6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: 2-[6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[6-[(2,4-dimethylanilino)-oxomethyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: 2-[6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[6-[(2,4-dimethylphenyl)carbamoyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidin-3-yl]butyrate Formula: C20H20N3O4S- MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=C(C=C(C=C3)C)C)C

Isomeric SMILES

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=C(C=C(C=C3)C)C)C

InChI

InChI=1S/C20H21N3O4S/c1-5-14(20(26)27)23-9-21-18-15(19(23)25)12(4)16(28-18)17(24)22-13-7-6-10(2)8-11(13)3/h6-9,14H,5H2,1-4H3,(H,22,24)(H,26,27)/p-1