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

Systemtic Name: pentyl 2-[5-(3,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: pentyl 2-[5-(3,4-dimethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(3,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid pentyl ester IUPAC Name: pentyl 2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[5-(3,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]propionic acid amyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCOC(=O)C(C)N1C=NC2=C(C1=O)C(=CS2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H26N2O3S/c1-5-6-7-10-27-22(26)16(4)24-13-23-20-19(21(24)25)18(12-28-20)17-9-8-14(2)15(3)11-17/h8-9,11-13,16H,5-7,10H2,1-4H3