6-ethyl-4-oxidanylidene-2-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-4-oxidanylidene-2-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-4-oxo-2-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-4-oxo-2-(3-phenoxypropylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-4-oxo-2-(3-phenoxypropylsulfanyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-(3-phenoxypropylthio)-1H-pyrimidine-5-carbonitrile Formula: C16H17N3O2S MolecularWeight: 315.39008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCCOC2=CC=CC=C2)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCCOC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H17N3O2S/c1-2-14-13(11-17)15(20)19-16(18-14)22-10-6-9-21-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-10H2,1H3,(H,18,19,20)