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

Systemtic Name: 2-methylpropyl 2-[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)OCC(C)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)OCC(C)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-12(2)10-28-21(27)14(4)24-11-22-19-16(20(24)26)13(3)17(29-19)18(25)23-15-8-6-5-7-9-15/h5-9,11-12,14H,10H2,1-4H3,(H,23,25)