2-[6-azanyl-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[6-azanyl-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylethanamide Openeye Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylacetamide CAS Name: 2-[[6-amino-9-[(2-chlorophenyl)methyl]-8-purinyl]thio]acetamide IUPAC Name: 2-[6-amino-9-[(2-chlorophenyl)methyl]purin-8-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-9-(2-chlorobenzyl)purin-8-yl]thio]acetamide Formula: C14H13ClN6OS MolecularWeight: 348.81062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N)Cl

InChI

InChI=1S/C14H13ClN6OS/c15-9-4-2-1-3-8(9)5-21-13-11(12(17)18-7-19-13)20-14(21)23-6-10(16)22/h1-4,7H,5-6H2,(H2,16,22)(H2,17,18,19)