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

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide Formula: C18H17ClN6O2S MolecularWeight: 416.88458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)CSC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2)CCNC(=O)CSC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H17ClN6O2S/c1-27-11-2-3-12-10(7-21-13(12)6-11)4-5-20-14(26)8-28-17-15-16(23-9-22-15)24-18(19)25-17/h2-3,6-7,9,21H,4-5,8H2,1H3,(H,20,26)(H,22,23,24,25)