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

Systemtic Name: pentyl 2-[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-4-5-9-12-29-22(28)15(3)25-13-23-20-17(21(25)27)14(2)18(30-20)19(26)24-16-10-7-6-8-11-16/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,24,26)