[1-[bis(4-fluorophenyl)methyl]-8-(4-oxidanidylpiperazin-1-yl)-3-propylsulfanyl-2H-purin-2-yl] ethanoate

Systemtic Name: [1-[bis(4-fluorophenyl)methyl]-8-(4-oxidanidylpiperazin-1-yl)-3-propylsulfanyl-2H-purin-2-yl] ethanoate Openeye Name: [1-[bis(4-fluorophenyl)methyl]-8-(4-oxidopiperazin-1-yl)-3-propylsulfanyl-2H-purin-2-yl] acetate CAS Name: acetic acid [1-[bis(4-fluorophenyl)methyl]-8-(4-oxido-1-piperazinyl)-3-(propylthio)-2H-purin-2-yl] ester IUPAC Name: [1-[bis(4-fluorophenyl)methyl]-8-(4-oxidopiperazin-1-yl)-3-propylsulfanyl-2H-purin-2-yl] acetate Traditional Name: acetic acid [1-[bis(4-fluorophenyl)methyl]-8-(4-oxidopiperazino)-3-(propylthio)-2H-purin-2-yl] ester Formula: C27H29F2N6O3S- MolecularWeight: 555.619366

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C(N(C=C2C1=NC(=N2)N3CCN(CC3)[O-])C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)OC(=O)C

Isomeric SMILES

CCCSN1C(N(C=C2C1=NC(=N2)N3CCN(CC3)[O-])C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)OC(=O)C

InChI

InChI=1S/C27H29F2N6O3S/c1-3-16-39-35-25-23(30-26(31-25)32-12-14-33(37)15-13-32)17-34(27(35)38-18(2)36)24(19-4-8-21(28)9-5-19)20-6-10-22(29)11-7-20/h4-11,17,24,27H,3,12-16H2,1-2H3/q-1