[4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]-2-purinyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[6-(2-ethylhexylamino)-9-[(4-nitrophenyl)methyl]purin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[6-(2-ethylhexylamino)-9-(4-nitrobenzyl)purin-2-yl]piperazino]-(3-pyridyl)methanone Formula: C30H37N9O3 MolecularWeight: 571.67328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=C(C=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H37N9O3/c1-3-5-7-22(4-2)18-32-27-26-28(38(21-33-26)20-23-9-11-25(12-10-23)39(41)42)35-30(34-27)37-16-14-36(15-17-37)29(40)24-8-6-13-31-19-24/h6,8-13,19,21-22H,3-5,7,14-18,20H2,1-2H3,(H,32,34,35)