3-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C17H19ClN8O MolecularWeight: 386.83876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C17H19ClN8O/c18-17-23-15(14-16(24-17)22-11-21-14)20-6-4-13(27)26-9-7-25(8-10-26)12-3-1-2-5-19-12/h1-3,5,11H,4,6-10H2,(H2,20,21,22,23,24)