3-[(2-chloranyl-7H-purin-6-yl)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(4-hydroxyphenyl)ethyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[2-(4-hydroxyphenyl)ethyl]propionamide Formula: C16H17ClN6O2 MolecularWeight: 360.79818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl)O

InChI

InChI=1S/C16H17ClN6O2/c17-16-22-14(13-15(23-16)21-9-20-13)19-8-6-12(25)18-7-5-10-1-3-11(24)4-2-10/h1-4,9,24H,5-8H2,(H,18,25)(H2,19,20,21,22,23)