N-[6-chloranyl-9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-yl]ethanamide

Systemtic Name: N-[6-chloranyl-9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-yl]ethanamide Openeye Name: N-[6-chloro-9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-yl]acetamide CAS Name: N-[6-chloro-9-[(3,4,5-trimethoxyphenyl)methyl]-2-purinyl]acetamide IUPAC Name: N-[6-chloro-9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-yl]acetamide Traditional Name: N-[6-chloro-9-(3,4,5-trimethoxybenzyl)purin-2-yl]acetamide Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2CC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2CC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C17H18ClN5O4/c1-9(24)20-17-21-15(18)13-16(22-17)23(8-19-13)7-10-5-11(25-2)14(27-4)12(6-10)26-3/h5-6,8H,7H2,1-4H3,(H,20,21,22,24)