(2S)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-2-[(2-chloro-7H-purin-6-yl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[(2-chloro-7H-purin-6-yl)thio]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C17H18ClN7OS MolecularWeight: 403.88912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)SC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=N2)SC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C17H18ClN7OS/c1-11(27-15-13-14(21-10-20-13)22-17(18)23-15)16(26)25-8-6-24(7-9-25)12-4-2-3-5-19-12/h2-5,10-11H,6-9H2,1H3,(H,20,21,22,23)/t11-/m0/s1