[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-(2-thienyl)methanone Formula: C26H29N7O2S MolecularWeight: 503.61916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N7O2S/c34-25(21-9-5-15-36-21)31-10-12-32(13-11-31)26-29-23(27-16-20-8-4-14-35-20)22-24(30-26)33(18-28-22)17-19-6-2-1-3-7-19/h1-3,5-7,9,15,18,20H,4,8,10-14,16-17H2,(H,27,29,30)