8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine

Systemtic Name: 8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine Openeye Name: 8-[1-(p-tolylsulfonyl)-4-piperidyl]-7H-purine-2,6-diamine CAS Name: 8-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-7H-purine-2,6-diamine IUPAC Name: 8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine Traditional Name: [2-amino-8-(1-tosyl-4-piperidyl)-7H-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)N2CCC(CC2)C3=NC4=C(N3)C(=NC(=N4)N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3)C(=NC(=N4)N)N

InChI

InChI=1S/C17H21N7O2S/c1-10-2-4-12(5-3-10)27(25,26)24-8-6-11(7-9-24)15-20-13-14(18)21-17(19)23-16(13)22-15/h2-5,11H,6-9H2,1H3,(H5,18,19,20,21,22,23)