N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3-[(2-chloranyl-7H-purin-6-yl)amino]propanamide

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3-[(2-chloranyl-7H-purin-6-yl)amino]propanamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-chloro-7H-purin-6-yl)amino]propanamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-chloro-7H-purin-6-yl)amino]propanamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-chloro-7H-purin-6-yl)amino]propanamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-chloro-7H-purin-6-yl)amino]propionamide Formula: C18H17Cl2N7O MolecularWeight: 418.27988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CN2)CCNC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CN2)CCNC(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H17Cl2N7O/c19-11-1-2-13-12(7-11)10(8-23-13)3-5-21-14(28)4-6-22-16-15-17(25-9-24-15)27-18(20)26-16/h1-2,7-9,23H,3-6H2,(H,21,28)(H2,22,24,25,26,27)