6-ethyl-4-oxidanylidene-2-(2-phenoxyethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-4-oxidanylidene-2-(2-phenoxyethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-4-oxo-2-(2-phenoxyethylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-4-oxo-2-(2-phenoxyethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-4-oxo-2-(2-phenoxyethylsulfanyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-(2-phenoxyethylthio)-1H-pyrimidine-5-carbonitrile Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCOC2=CC=CC=C2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCOC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H15N3O2S/c1-2-13-12(10-16)14(19)18-15(17-13)21-9-8-20-11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3,(H,17,18,19)