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

Systemtic Name: [1-(7H-purin-6-ylsulfanyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] ethanoate Openeye Name: [1-(7H-purin-6-ylsulfanylmethyl)-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] acetate CAS Name: acetic acid [1-(7H-purin-6-ylthio)-3-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(7H-purin-6-ylsulfanyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [1-[(7H-purin-6-ylthio)methyl]-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C19H23N7O2S MolecularWeight: 413.49662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H23N7O2S/c1-14(27)28-15(11-29-19-17-18(22-12-21-17)23-13-24-19)10-25-6-8-26(9-7-25)16-4-2-3-5-20-16/h2-5,12-13,15H,6-11H2,1H3,(H,21,22,23,24)