[6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-purin-2-yl] ethanoate

Systemtic Name: [6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-purin-2-yl] ethanoate Openeye Name: [6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanyl-purin-2-yl] acetate CAS Name: acetic acid [6-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-3-(propylthio)-2-purinyl] ester IUPAC Name: [6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-propylsulfanylpurin-2-yl] acetate Traditional Name: acetic acid [6-[4-[bis(4-fluorophenyl)methyl]piperazino]-3-(propylthio)purin-2-yl] ester Formula: C27H28F2N6O2S MolecularWeight: 538.612026

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C2=NC=NC2=C(N=C1OC(=O)C)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CCCSN1C2=NC=NC2=C(N=C1OC(=O)C)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H28F2N6O2S/c1-3-16-38-35-25-23(30-17-31-25)26(32-27(35)37-18(2)36)34-14-12-33(13-15-34)24(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h4-11,17,24H,3,12-16H2,1-2H3