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

Systemtic Name: [1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-yl] ethanoate Openeye Name: [1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-(7H-purin-6-ylsulfanyl)ethyl] acetate CAS Name: acetic acid [1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(7H-purin-6-ylthio)propan-2-yl] ester IUPAC Name: [1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-yl] acetate Traditional Name: acetic acid [1-[[4-(2-methoxyphenyl)piperazino]methyl]-2-(7H-purin-6-ylthio)ethyl] ester Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2OC)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC(=O)OC(CN1CCN(CC1)C2=CC=CC=C2OC)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C21H26N6O3S/c1-15(28)30-16(12-31-21-19-20(23-13-22-19)24-14-25-21)11-26-7-9-27(10-8-26)17-5-3-4-6-18(17)29-2/h3-6,13-14,16H,7-12H2,1-2H3,(H,22,23,24,25)