3-[3-oxidanylidene-3-(pyrimidin-2-ylamino)propyl]sulfanyl-N-pyrimidin-2-yl-propanamide

Systemtic Name: 3-[3-oxidanylidene-3-(pyrimidin-2-ylamino)propyl]sulfanyl-N-pyrimidin-2-yl-propanamide Openeye Name: 3-[3-oxo-3-(pyrimidin-2-ylamino)propyl]sulfanyl-N-pyrimidin-2-yl-propanamide CAS Name: 3-[[3-oxo-3-(2-pyrimidinylamino)propyl]thio]-N-(2-pyrimidinyl)propanamide IUPAC Name: 3-[3-oxo-3-(pyrimidin-2-ylamino)propyl]sulfanyl-N-pyrimidin-2-ylpropanamide Traditional Name: 3-[[3-keto-3-(2-pyrimidylamino)propyl]thio]-N-(2-pyrimidyl)propionamide Formula: C14H16N6O2S MolecularWeight: 332.38084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)CCSCCC(=O)NC2=NC=CC=N2

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)CCSCCC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C14H16N6O2S/c21-11(19-13-15-5-1-6-16-13)3-9-23-10-4-12(22)20-14-17-7-2-8-18-14/h1-2,5-8H,3-4,9-10H2,(H,15,16,19,21)(H,17,18,20,22)