1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-[4-(p-tolylmethyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-methylbenzyl)piperazino]-2-(7H-purin-6-ylthio)ethanone Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H22N6OS/c1-14-2-4-15(5-3-14)10-24-6-8-25(9-7-24)16(26)11-27-19-17-18(21-12-20-17)22-13-23-19/h2-5,12-13H,6-11H2,1H3,(H,20,21,22,23)