N-[4,6-bis(oxidanylidene)-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-[4,6-bis(oxidanylidene)-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(2-benzylsulfanyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide CAS Name: N-[4,6-dioxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(2-benzylsulfanyl-4,6-dioxo-1H-pyrimidin-5-yl)acetamide Traditional Name: N-[2-(benzylthio)-4,6-diketo-1H-pyrimidin-5-yl]acetamide Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(=O)NC(=NC1=O)SCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1C(=O)NC(=NC1=O)SCC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S/c1-8(17)14-10-11(18)15-13(16-12(10)19)20-7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,14,17)(H,15,16,18,19)