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

Systemtic Name: butan-2-yl 2-[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: sec-butyl 2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[6-[anilino(oxo)methyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-methyl-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid sec-butyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCC(C)OC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O4S/c1-4-12(2)27-15(24)10-23-11-21-19-16(20(23)26)13(3)17(28-19)18(25)22-14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H,22,25)