[4-[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[9-ethyl-6-[(3-nitrophenyl)amino]purin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[9-ethyl-6-(3-nitroanilino)purin-2-yl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[9-ethyl-6-(3-nitroanilino)-2-purinyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[9-ethyl-6-(3-nitroanilino)purin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[9-ethyl-6-(3-nitroanilino)purin-2-yl]piperazino]-(2-furyl)methanone Formula: C22H22N8O4 MolecularWeight: 462.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C22H22N8O4/c1-2-27-14-23-18-19(24-15-5-3-6-16(13-15)30(32)33)25-22(26-20(18)27)29-10-8-28(9-11-29)21(31)17-7-4-12-34-17/h3-7,12-14H,2,8-11H2,1H3,(H,24,25,26)