pentyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: pentyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoate Openeye Name: pentyl 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetic acid pentyl ester IUPAC Name: pentyl 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid amyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCOC(=O)CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

InChI

InChI=1S/C19H24N2O3S/c1-3-4-8-11-24-17(22)12-16-14(2)20-19(21-18(16)23)25-13-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,20,21,23)