2-[6-azanyl-9-[(4-methylphenyl)methyl]purin-8-yl]sulfanylethanamide

Systemtic Name: 2-[6-azanyl-9-[(4-methylphenyl)methyl]purin-8-yl]sulfanylethanamide Openeye Name: 2-[6-amino-9-(p-tolylmethyl)purin-8-yl]sulfanylacetamide CAS Name: 2-[[6-amino-9-[(4-methylphenyl)methyl]-8-purinyl]thio]acetamide IUPAC Name: 2-[6-amino-9-[(4-methylphenyl)methyl]purin-8-yl]sulfanylacetamide Traditional Name: 2-[[6-amino-9-(4-methylbenzyl)purin-8-yl]thio]acetamide Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2SCC(=O)N

InChI

InChI=1S/C15H16N6OS/c1-9-2-4-10(5-3-9)6-21-14-12(13(17)18-8-19-14)20-15(21)23-7-11(16)22/h2-5,8H,6-7H2,1H3,(H2,16,22)(H2,17,18,19)