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

Systemtic Name: N-(oxolan-2-ylmethyl)-9-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Openeye Name: 9-benzyl-N-(tetrahydrofuran-2-ylmethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]purin-6-amine CAS Name: N-(2-oxolanylmethyl)-9-(phenylmethyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-6-purinamine IUPAC Name: 9-benzyl-N-(oxolan-2-ylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)purin-6-amine Traditional Name: [9-benzyl-2-[4-(2-thienylsulfonyl)piperazino]purin-6-yl]-(tetrahydrofurfuryl)amine Formula: C25H29N7O3S2 MolecularWeight: 539.67286

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=CS6

Isomeric SMILES

C1CC(OC1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCN(CC5)S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C25H29N7O3S2/c33-37(34,21-9-5-15-36-21)32-12-10-30(11-13-32)25-28-23(26-16-20-8-4-14-35-20)22-24(29-25)31(18-27-22)17-19-6-2-1-3-7-19/h1-3,5-7,9,15,18,20H,4,8,10-14,16-17H2,(H,26,28,29)