2-[2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzamide

Systemtic Name: 2-[2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: 2-[2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanylpropanoylamino]benzamide CAS Name: 2-[[2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 2-[2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SC(C)C(=O)NC2=CC=CC=C2C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SC(C)C(=O)NC2=CC=CC=C2C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-13-12-18(26)25(15-8-4-3-5-9-15)21(23-13)29-14(2)20(28)24-17-11-7-6-10-16(17)19(22)27/h3-12,14H,1-2H3,(H2,22,27)(H,24,28)