N-[4-[[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propanoylamino]methyl]phenyl]-2-furamide Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NCC2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NCC2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H22N4O4S/c1-13-16(19(27)25-21(23-13)30-2)9-10-18(26)22-12-14-5-7-15(8-6-14)24-20(28)17-4-3-11-29-17/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,24,28)(H,23,25,27)