N-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]-4-hydroxy-6-keto-1H-pyrimidin-5-yl]acetamide Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(N=C(NC1=O)SCC2=CC=CC=C2C#N)O

Isomeric SMILES

CC(=O)NC1=C(N=C(NC1=O)SCC2=CC=CC=C2C#N)O

InChI

InChI=1S/C14H12N4O3S/c1-8(19)16-11-12(20)17-14(18-13(11)21)22-7-10-5-3-2-4-9(10)6-15/h2-5H,7H2,1H3,(H,16,19)(H2,17,18,20,21)