2-(cyanomethylsulfanyl)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(cyanomethylsulfanyl)-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(cyanomethylthio)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(cyanomethylthio)-4-keto-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC#N)C#N

InChI

InChI=1S/C14H10N4O2S/c1-20-10-4-2-9(3-5-10)12-11(8-16)13(19)18-14(17-12)21-7-6-15/h2-5H,7H2,1H3,(H,17,18,19)