9-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]purine-2,6-diamine

Systemtic Name: 9-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]purine-2,6-diamine Openeye Name: 9-[[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methyl]purine-2,6-diamine CAS Name: 9-[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]methyl]purine-2,6-diamine IUPAC Name: 9-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]purine-2,6-diamine Traditional Name: [2-amino-9-[[(2S)-1-tosylpyrrolidin-2-yl]methyl]purin-6-yl]amine Formula: C17H21N7O2S MolecularWeight: 387.45934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2CN3C=NC4=C3N=C(N=C4N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2CN3C=NC4=C3N=C(N=C4N)N

InChI

InChI=1S/C17H21N7O2S/c1-11-4-6-13(7-5-11)27(25,26)24-8-2-3-12(24)9-23-10-20-14-15(18)21-17(19)22-16(14)23/h4-7,10,12H,2-3,8-9H2,1H3,(H4,18,19,21,22)/t12-/m0/s1