2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-(4-methylsulfonylpiperazin-1-yl)-N-(tetrahydrofuran-2-ylmethyl)purin-6-amine CAS Name: 2-(4-methylsulfonyl-1-piperazinyl)-N-(2-oxolanylmethyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-(4-methylsulfonylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)purin-6-amine Traditional Name: [9-benzyl-2-(4-mesylpiperazino)purin-6-yl]-(tetrahydrofurfuryl)amine Formula: C22H29N7O3S MolecularWeight: 471.57576

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4CCCO4)N=CN3CC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4CCCO4)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C22H29N7O3S/c1-33(30,31)29-11-9-27(10-12-29)22-25-20(23-14-18-8-5-13-32-18)19-21(26-22)28(16-24-19)15-17-6-3-2-4-7-17/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,23,25,26)