4-azanyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-pyridyl)ethylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-(2-pyridin-4-ylethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-(2-pyridin-4-ylethylsulfanyl)pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[2-(4-pyridyl)ethylthio]pyrimidine-5-carbonitrile Formula: C12H11N5S MolecularWeight: 257.31424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1=CN=CC=C1CCSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C12H11N5S/c13-7-10-8-16-12(17-11(10)14)18-6-3-9-1-4-15-5-2-9/h1-2,4-5,8H,3,6H2,(H2,14,16,17)