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

Systemtic Name: 4-oxidanylidene-2-(4-phenoxybutylsulfanyl)-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-(4-phenoxybutylsulfanyl)-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(4-phenoxybutylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-(4-phenoxybutylsulfanyl)-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-(4-phenoxybutylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCCOC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCCOC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H19N3O2S/c22-15-18-19(16-9-3-1-4-10-16)23-21(24-20(18)25)27-14-8-7-13-26-17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2,(H,23,24,25)