9-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]purin-6-amine

Systemtic Name: 9-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]purin-6-amine Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-(m-tolylmethyl)-N-(tetrahydrofuran-2-ylmethyl)purin-6-amine CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-9-[(3-methylphenyl)methyl]-N-(2-oxolanylmethyl)-6-purinamine IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-9-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)purin-6-amine Traditional Name: [2-(4-besylpiperazino)-9-(3-methylbenzyl)purin-6-yl]-(tetrahydrofurfuryl)amine Formula: C28H33N7O3S MolecularWeight: 547.67172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4CCCO4)N5CCN(CC5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H33N7O3S/c1-21-7-5-8-22(17-21)19-34-20-30-25-26(29-18-23-9-6-16-38-23)31-28(32-27(25)34)33-12-14-35(15-13-33)39(36,37)24-10-3-2-4-11-24/h2-5,7-8,10-11,17,20,23H,6,9,12-16,18-19H2,1H3,(H,29,31,32)