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

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(2-methoxyphenyl)ethyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)sulfanyl]-N-[2-(2-methoxyphenyl)ethyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)thio]-N-[2-(2-methoxyphenyl)ethyl]propionamide Formula: C17H18ClN5O2S MolecularWeight: 391.87512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)CCSC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C17H18ClN5O2S/c1-25-12-5-3-2-4-11(12)6-8-19-13(24)7-9-26-16-14-15(21-10-20-14)22-17(18)23-16/h2-5,10H,6-9H2,1H3,(H,19,24)(H,20,21,22,23)