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

Systemtic Name: 6-ethyl-4-oxidanylidene-2-(4-phenoxybutylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-4-oxo-2-(4-phenoxybutylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-4-oxo-2-(4-phenoxybutylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-4-oxo-2-(4-phenoxybutylsulfanyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-(4-phenoxybutylthio)-1H-pyrimidine-5-carbonitrile Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCCCOC2=CC=CC=C2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCCCOC2=CC=CC=C2)C#N

InChI

InChI=1S/C17H19N3O2S/c1-2-15-14(12-18)16(21)20-17(19-15)23-11-7-6-10-22-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20,21)