2-[4-(2-chlorophenyl)piperazin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine CAS Name: 2-[4-(2-chlorophenyl)-1-piperazinyl]-9-ethyl-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-9-ethyl-N-(3-nitrophenyl)purin-6-amine Traditional Name: [2-[4-(2-chlorophenyl)piperazino]-9-ethyl-purin-6-yl]-(3-nitrophenyl)amine Formula: C23H23ClN8O2 MolecularWeight: 478.93412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H23ClN8O2/c1-2-29-15-25-20-21(26-16-6-5-7-17(14-16)32(33)34)27-23(28-22(20)29)31-12-10-30(11-13-31)19-9-4-3-8-18(19)24/h3-9,14-15H,2,10-13H2,1H3,(H,26,27,28)