2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrimidine-5-carbaldehyde

Systemtic Name: 2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrimidine-5-carbaldehyde Openeye Name: 2-methylsulfanyl-4-(3-pyridylmethylamino)pyrimidine-5-carbaldehyde CAS Name: 2-(methylthio)-4-(3-pyridinylmethylamino)-5-pyrimidinecarboxaldehyde IUPAC Name: 2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrimidine-5-carbaldehyde Traditional Name: 2-(methylthio)-4-(3-pyridylmethylamino)pyrimidine-5-carbaldehyde Formula: C12H12N4OS MolecularWeight: 260.31488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCC2=CN=CC=C2)C=O

Isomeric SMILES

CSC1=NC=C(C(=N1)NCC2=CN=CC=C2)C=O

InChI

InChI=1S/C12H12N4OS/c1-18-12-15-7-10(8-17)11(16-12)14-6-9-3-2-4-13-5-9/h2-5,7-8H,6H2,1H3,(H,14,15,16)