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

Systemtic Name: [4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-(4-pyridyl)methanone Formula: C27H30N8O2 MolecularWeight: 498.5795

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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=NC=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H30N8O2/c36-26(21-8-10-28-11-9-21)33-12-14-34(15-13-33)27-31-24(29-17-22-7-4-16-37-22)23-25(32-27)35(19-30-23)18-20-5-2-1-3-6-20/h1-3,5-6,8-11,19,22H,4,7,12-18H2,(H,29,31,32)