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

Systemtic Name: butan-2-yl 2-[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: sec-butyl 2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[6-[anilino(oxo)methyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[4-keto-5-methyl-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid sec-butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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=C3)C

Isomeric SMILES

CCC(C)OC(=O)C(C)N1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O4S/c1-5-12(2)28-21(27)14(4)24-11-22-19-16(20(24)26)13(3)17(29-19)18(25)23-15-9-7-6-8-10-15/h6-12,14H,5H2,1-4H3,(H,23,25)