8-bromanyl-9-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]purin-6-amine

Systemtic Name: 8-bromanyl-9-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]purin-6-amine Openeye Name: 8-bromo-9-[[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methyl]purin-6-amine CAS Name: 8-bromo-9-[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methyl]-6-purinamine IUPAC Name: 8-bromo-9-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]purin-6-amine Traditional Name: [8-bromo-9-[[(2S)-1-tosylpyrrolidin-2-yl]methyl]purin-6-yl]amine Formula: C17H19BrN6O2S MolecularWeight: 451.34076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CN3C4=C(C(=NC=N4)N)N=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2CN3C4=C(C(=NC=N4)N)N=C3Br

InChI

InChI=1S/C17H19BrN6O2S/c1-11-4-6-13(7-5-11)27(25,26)24-8-2-3-12(24)9-23-16-14(22-17(23)18)15(19)20-10-21-16/h4-7,10,12H,2-3,8-9H2,1H3,(H2,19,20,21)/t12-/m0/s1