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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-(7H-purin-6-ylthio)ethanone Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H20N6O2S/c1-26-14-5-3-2-4-13(14)23-6-8-24(9-7-23)15(25)10-27-18-16-17(20-11-19-16)21-12-22-18/h2-5,11-12H,6-10H2,1H3,(H,19,20,21,22)