[8-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-3-propylsulfanyl-purin-2-yl] hydrogen sulfate

Systemtic Name: [8-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-3-propylsulfanyl-purin-2-yl] hydrogen sulfate Openeye Name: [8-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-3-propylsulfanyl-purin-2-yl] hydrogen sulfate CAS Name: sulfuric acid [8-[(4-fluorophenyl)methyl]-6-(1-piperazinyl)-3-(propylthio)-2-purinyl] ester IUPAC Name: [8-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-3-propylsulfanylpurin-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [8-(4-fluorobenzyl)-6-piperazino-3-(propylthio)purin-2-yl] ester Formula: C19H23FN6O4S2 MolecularWeight: 482.552123

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=NC(=NC2=C(N=C1OS(=O)(=O)O)N3CCNCC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCCSN1C2=NC(=NC2=C(N=C1OS(=O)(=O)O)N3CCNCC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C19H23FN6O4S2/c1-2-11-31-26-18-16(22-15(23-18)12-13-3-5-14(20)6-4-13)17(25-9-7-21-8-10-25)24-19(26)30-32(27,28)29/h3-6,21H,2,7-12H2,1H3,(H,27,28,29)