N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)-9-(phenylmethyl)purin-6-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-9-benzyl-2-(4-methylsulfonylpiperazin-1-yl)purin-6-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylsulfonyl-1-piperazinyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-9-benzyl-2-(4-methylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: [9-benzyl-2-(4-mesylpiperazino)purin-6-yl]-piperonyl-amine Formula: C25H27N7O4S MolecularWeight: 521.59138

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC6=CC=CC=C6

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4=CC5=C(C=C4)OCO5)N=CN3CC6=CC=CC=C6

InChI

InChI=1S/C25H27N7O4S/c1-37(33,34)32-11-9-30(10-12-32)25-28-23(26-14-19-7-8-20-21(13-19)36-17-35-20)22-24(29-25)31(16-27-22)15-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15,17H2,1H3,(H,26,28,29)