2-(4-methylsulfonylpiperazin-1-yl)-9-(phenylmethyl)-N-prop-2-enyl-purin-6-amine

Systemtic Name: 2-(4-methylsulfonylpiperazin-1-yl)-9-(phenylmethyl)-N-prop-2-enyl-purin-6-amine Openeye Name: N-allyl-9-benzyl-2-(4-methylsulfonylpiperazin-1-yl)purin-6-amine CAS Name: 2-(4-methylsulfonyl-1-piperazinyl)-9-(phenylmethyl)-N-prop-2-enyl-6-purinamine IUPAC Name: 9-benzyl-2-(4-methylsulfonylpiperazin-1-yl)-N-prop-2-enylpurin-6-amine Traditional Name: allyl-[9-benzyl-2-(4-mesylpiperazino)purin-6-yl]amine Formula: C20H25N7O2S MolecularWeight: 427.5232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC=C)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC=C)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C20H25N7O2S/c1-3-9-21-18-17-19(26(15-22-17)14-16-7-5-4-6-8-16)24-20(23-18)25-10-12-27(13-11-25)30(2,28)29/h3-8,15H,1,9-14H2,2H3,(H,21,23,24)