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

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]propanamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-chloro-7H-purin-6-yl)thio]propanamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-chloro-7H-purin-6-yl)sulfanyl]propanamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-chloro-7H-purin-6-yl)thio]propionamide Formula: C18H16Cl2N6OS MolecularWeight: 435.33024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CN2)CCNC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CN2)CCNC(=O)CCSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H16Cl2N6OS/c19-11-1-2-13-12(7-11)10(8-22-13)3-5-21-14(27)4-6-28-17-15-16(24-9-23-15)25-18(20)26-17/h1-2,7-9,22H,3-6H2,(H,21,27)(H,23,24,25,26)