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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-13(2)9-10-28-16(25)11-24-12-22-20-17(21(24)27)14(3)18(29-20)19(26)23-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3,(H,23,26)