(6-piperazin-1-yl-3-propylsulfanyl-8-pyridin-2-yl-purin-2-yl) ethanoate

Systemtic Name: (6-piperazin-1-yl-3-propylsulfanyl-8-pyridin-2-yl-purin-2-yl) ethanoate Openeye Name: [6-piperazin-1-yl-3-propylsulfanyl-8-(2-pyridyl)purin-2-yl] acetate CAS Name: acetic acid [6-(1-piperazinyl)-3-(propylthio)-8-(2-pyridinyl)-2-purinyl] ester IUPAC Name: (6-piperazin-1-yl-3-propylsulfanyl-8-pyridin-2-ylpurin-2-yl) acetate Traditional Name: acetic acid [6-piperazino-3-(propylthio)-8-(2-pyridyl)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)N3CCNCC3)C4=CC=CC=N4

Isomeric SMILES

CCCSN1C2=NC(=NC2=C(N=C1OC(=O)C)N3CCNCC3)C4=CC=CC=N4

InChI

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