N-[6-acetamido-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-acetamido-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-acetamido-2-(m-tolylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-acetamido-2-[(3-methylphenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-4-keto-2-[(3-methylbenzyl)thio]-1H-pyrimidin-5-yl]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)NC(=O)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C(=C(N2)NC(=O)C)NC(=O)C3=CC=CC=C3

InChI

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