N-[6-acetamido-4-oxidanylidene-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-acetamido-4-oxidanylidene-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-acetamido-4-oxo-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-acetamido-4-oxo-2-[[(1R)-1-phenylethyl]thio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-acetamido-4-oxo-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-acetamido-4-keto-2-[[(1R)-1-phenylethyl]thio]-1H-pyrimidin-5-yl]benzamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)NC(=O)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)NC(=O)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-13(15-9-5-3-6-10-15)29-21-24-18(22-14(2)26)17(20(28)25-21)23-19(27)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,23,27)(H2,22,24,25,26,28)/t13-/m1/s1