butan-2-yl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: butan-2-yl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: sec-butyl 2-[5-methyl-6-(o-tolylcarbamoyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-methyl-6-[(2-methylanilino)-oxomethyl]-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid sec-butyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C(C)N1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3C)C

Isomeric SMILES

CCC(C)OC(=O)C(C)N1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3C)C

InChI

InChI=1S/C22H25N3O4S/c1-6-13(3)29-22(28)15(5)25-11-23-20-17(21(25)27)14(4)18(30-20)19(26)24-16-10-8-7-9-12(16)2/h7-11,13,15H,6H2,1-5H3,(H,24,26)