N-butyl-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: N-butyl-2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCCCNC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C18H20N4O3S/c1-3-4-9-20-15(23)11-26-18-21-16(14(10-19)17(24)22-18)12-5-7-13(25-2)8-6-12/h5-8H,3-4,9,11H2,1-2H3,(H,20,23)(H,21,22,24)