2-azanyl-4-butylsulfanyl-6-(furan-2-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-butylsulfanyl-6-(furan-2-yl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-butylsulfanyl-6-(2-furyl)pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(butylthio)-6-(2-furanyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-butylsulfanyl-6-(furan-2-yl)pyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(butylthio)-6-(2-furyl)pyrimidine-5-carbonitrile Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC(=C1C#N)C2=CC=CO2)N

Isomeric SMILES

CCCCSC1=NC(=NC(=C1C#N)C2=CC=CO2)N

InChI

InChI=1S/C13H14N4OS/c1-2-3-7-19-12-9(8-14)11(16-13(15)17-12)10-5-4-6-18-10/h4-6H,2-3,7H2,1H3,(H2,15,16,17)