2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-(oxolan-2-ylmethyl)-9-(phenylmethyl)purin-6-amine

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-(oxolan-2-ylmethyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)purin-6-amine CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-N-(2-oxolanylmethyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(oxolan-2-ylmethyl)purin-6-amine Traditional Name: [9-benzyl-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]purin-6-yl]-(tetrahydrofurfuryl)amine Formula: C25H28ClN7O3S2 MolecularWeight: 574.11792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)S(=O)(=O)C6=CC=C(S6)Cl

Isomeric SMILES

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)S(=O)(=O)C6=CC=C(S6)Cl

InChI

InChI=1S/C25H28ClN7O3S2/c26-20-8-9-21(37-20)38(34,35)33-12-10-31(11-13-33)25-29-23(27-15-19-7-4-14-36-19)22-24(30-25)32(17-28-22)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19H,4,7,10-16H2,(H,27,29,30)