7-[bis(4-fluorophenyl)methyl]-8-(1,4-diazepan-1-yl)-3-propylsulfanyl-2H-purin-2-ol

Systemtic Name: 7-[bis(4-fluorophenyl)methyl]-8-(1,4-diazepan-1-yl)-3-propylsulfanyl-2H-purin-2-ol Openeye Name: 7-[bis(4-fluorophenyl)methyl]-8-(1,4-diazepan-1-yl)-3-propylsulfanyl-2H-purin-2-ol CAS Name: 7-[bis(4-fluorophenyl)methyl]-8-(1,4-diazepan-1-yl)-3-(propylthio)-2H-purin-2-ol IUPAC Name: 7-[bis(4-fluorophenyl)methyl]-8-(1,4-diazepan-1-yl)-3-propylsulfanyl-2H-purin-2-ol Traditional Name: 7-[bis(4-fluorophenyl)methyl]-8-(1,4-diazepan-1-yl)-3-(propylthio)-2H-purin-2-ol Formula: C26H30F2N6OS MolecularWeight: 512.617806

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Descriptors Computed from Structure

Canonical SMILES:

CCCSN1C(N=CC2=C1N=C(N2C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)N5CCCNCC5)O

Isomeric SMILES

CCCSN1C(N=CC2=C1N=C(N2C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)N5CCCNCC5)O

InChI

InChI=1S/C26H30F2N6OS/c1-2-16-36-34-24-22(17-30-26(34)35)33(25(31-24)32-14-3-12-29-13-15-32)23(18-4-8-20(27)9-5-18)19-6-10-21(28)11-7-19/h4-11,17,23,26,29,35H,2-3,12-16H2,1H3