N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-2-methylsulfanyl-benzamide CAS Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-furanyl)-3-pyrazolyl]-2-(methylthio)benzamide IUPAC Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(furan-2-yl)pyrazol-3-yl]-2-methylsulfanylbenzamide Traditional Name: N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-furyl)pyrazol-3-yl]-2-(methylthio)benzamide Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CC=C4SC)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CO3)NC(=O)C4=CC=CC=C4SC)C

InChI

InChI=1S/C22H21N5O3S/c1-4-14-13(2)23-22(25-20(14)28)27-19(12-16(26-27)17-9-7-11-30-17)24-21(29)15-8-5-6-10-18(15)31-3/h5-12H,4H2,1-3H3,(H,24,29)(H,23,25,28)