4-butylsulfanyl-2-chloranyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-butylsulfanyl-2-chloranyl-pyrimidine-5-carbonitrile Openeye Name: 4-butylsulfanyl-2-chloro-pyrimidine-5-carbonitrile CAS Name: 4-(butylthio)-2-chloro-5-pyrimidinecarbonitrile IUPAC Name: 4-butylsulfanyl-2-chloropyrimidine-5-carbonitrile Traditional Name: 4-(butylthio)-2-chloro-pyrimidine-5-carbonitrile Formula: C9H10ClN3S MolecularWeight: 227.7138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NC=C1C#N)Cl

Isomeric SMILES

CCCCSC1=NC(=NC=C1C#N)Cl

InChI

InChI=1S/C9H10ClN3S/c1-2-3-4-14-8-7(5-11)6-12-9(10)13-8/h6H,2-4H2,1H3