3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)-2-purinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-[9-[(4-nitrophenyl)methyl]-6-(phenethylamino)purin-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-[9-(4-nitrobenzyl)-6-(phenethylamino)purin-2-yl]piperazino]propan-1-one Formula: C32H38N8O3 MolecularWeight: 582.69592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C32H38N8O3/c41-28(15-12-24-8-4-5-9-24)37-18-20-38(21-19-37)32-35-30(33-17-16-25-6-2-1-3-7-25)29-31(36-32)39(23-34-29)22-26-10-13-27(14-11-26)40(42)43/h1-3,6-7,10-11,13-14,23-24H,4-5,8-9,12,15-22H2,(H,33,35,36)