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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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