2-butylsulfanyl-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-butylsulfanyl-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-butylsulfanyl-6-(2-furyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(butylthio)-6-(2-furanyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-butylsulfanyl-6-(furan-2-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(butylthio)-6-(2-furyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C13H13N3O2S MolecularWeight: 275.32622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)C2=CC=CO2)C#N

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)C2=CC=CO2)C#N

InChI

InChI=1S/C13H13N3O2S/c1-2-3-7-19-13-15-11(10-5-4-6-18-10)9(8-14)12(17)16-13/h4-6H,2-3,7H2,1H3,(H,15,16,17)