2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-9-(phenylmethyl)-N-prop-2-enyl-purin-6-amine

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-9-(phenylmethyl)-N-prop-2-enyl-purin-6-amine Openeye Name: N-allyl-9-benzyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]purin-6-amine CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-9-(phenylmethyl)-N-prop-2-enyl-6-purinamine IUPAC Name: 9-benzyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpurin-6-amine Traditional Name: allyl-[9-benzyl-2-[4-(4-fluorophenyl)sulfonylpiperazino]purin-6-yl]amine Formula: C25H26FN7O2S MolecularWeight: 507.583043

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26FN7O2S/c1-2-12-27-23-22-24(32(18-28-22)17-19-6-4-3-5-7-19)30-25(29-23)31-13-15-33(16-14-31)36(34,35)21-10-8-20(26)9-11-21/h2-11,18H,1,12-17H2,(H,27,29,30)