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

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(oxolan-2-ylmethyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)purin-6-amine CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-(2-oxolanylmethyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(oxolan-2-ylmethyl)purin-6-amine Traditional Name: [9-benzyl-2-[4-(4-chlorophenyl)sulfonylpiperazino]purin-6-yl]-(tetrahydrofurfuryl)amine Formula: C27H30ClN7O3S MolecularWeight: 568.0902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN7O3S/c28-21-8-10-23(11-9-21)39(36,37)35-14-12-33(13-15-35)27-31-25(29-17-22-7-4-16-38-22)24-26(32-27)34(19-30-24)18-20-5-2-1-3-6-20/h1-3,5-6,8-11,19,22H,4,7,12-18H2,(H,29,31,32)