[3-propylsulfanyl-6-(4-pyridin-2-ylpiperazin-1-yl)purin-2-yl] ethanoate

Systemtic Name: [3-propylsulfanyl-6-(4-pyridin-2-ylpiperazin-1-yl)purin-2-yl] ethanoate Openeye Name: [3-propylsulfanyl-6-[4-(2-pyridyl)piperazin-1-yl]purin-2-yl] acetate CAS Name: acetic acid [3-(propylthio)-6-[4-(2-pyridinyl)-1-piperazinyl]-2-purinyl] ester IUPAC Name: [3-propylsulfanyl-6-(4-pyridin-2-ylpiperazin-1-yl)purin-2-yl] acetate Traditional Name: acetic acid [3-(propylthio)-6-[4-(2-pyridyl)piperazino]purin-2-yl] ester Formula: C19H23N7O2S MolecularWeight: 413.49662

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=NC=NC2=C(N=C1OC(=O)C)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCCSN1C2=NC=NC2=C(N=C1OC(=O)C)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C19H23N7O2S/c1-3-12-29-26-17-16(21-13-22-17)18(23-19(26)28-14(2)27)25-10-8-24(9-11-25)15-6-4-5-7-20-15/h4-7,13H,3,8-12H2,1-2H3