1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(7H-purin-6-ylthio)-2-propanol IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-3-(7H-purin-6-ylthio)propan-2-ol Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O2S/c1-27-16-5-3-2-4-15(16)25-8-6-24(7-9-25)10-14(26)11-28-19-17-18(21-12-20-17)22-13-23-19/h2-5,12-14,26H,6-11H2,1H3,(H,20,21,22,23)