N2-cyclohexyl-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine

Systemtic Name: N2-cyclohexyl-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine Openeye Name: N2-cyclohexyl-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine CAS Name: N2-cyclohexyl-9-ethyl-N6-(3-nitrophenyl)purine-2,6-diamine IUPAC Name: 2-N-cyclohexyl-9-ethyl-6-N-(3-nitrophenyl)purine-2,6-diamine Traditional Name: cyclohexyl-[9-ethyl-6-(3-nitroanilino)purin-2-yl]amine Formula: C19H23N7O2 MolecularWeight: 381.43162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NC4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])NC4CCCCC4

InChI

InChI=1S/C19H23N7O2/c1-2-25-12-20-16-17(21-14-9-6-10-15(11-14)26(27)28)23-19(24-18(16)25)22-13-7-4-3-5-8-13/h6,9-13H,2-5,7-8H2,1H3,(H2,21,22,23,24)