N-[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]-4-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]-4-(methylsulfanylmethyl)benzamide Openeye Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylsulfanylmethyl)benzamide CAS Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylsulfanylmethyl)benzamide Traditional Name: N-[3-(6-ethyl-4-keto-1H-pyrimidin-2-yl)phenyl]-4-[(methylthio)methyl]benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)CSC

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)CSC

InChI

InChI=1S/C21H21N3O2S/c1-3-17-12-19(25)24-20(22-17)16-5-4-6-18(11-16)23-21(26)15-9-7-14(8-10-15)13-27-2/h4-12H,3,13H2,1-2H3,(H,23,26)(H,22,24,25)