ethyl 4-[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylbutanoate CAS Name: 4-[[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(3-methoxyphenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylbutanoate Traditional Name: 4-[(6-keto-5-m-anisyl-1,4-dimethyl-pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC(=CC=C2)OC)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC(=CC=C2)OC)C

InChI

InChI=1S/C20H26N2O4S/c1-5-26-18(23)10-7-11-27-20-21-14(2)17(19(24)22(20)3)13-15-8-6-9-16(12-15)25-4/h6,8-9,12H,5,7,10-11,13H2,1-4H3