1-azanyl-2-(9-ethylpurin-2-yl)-6-[(4-nitrophenyl)amino]cyclohexan-1-ol

Systemtic Name: 1-azanyl-2-(9-ethylpurin-2-yl)-6-[(4-nitrophenyl)amino]cyclohexan-1-ol Openeye Name: 1-amino-2-(9-ethylpurin-2-yl)-6-(4-nitroanilino)cyclohexanol CAS Name: 1-amino-2-(9-ethyl-2-purinyl)-6-(4-nitroanilino)-1-cyclohexanol IUPAC Name: 1-amino-2-(9-ethylpurin-2-yl)-6-(4-nitroanilino)cyclohexan-1-ol Traditional Name: 1-amino-2-(9-ethylpurin-2-yl)-6-(4-nitroanilino)cyclohexanol Formula: C19H23N7O3 MolecularWeight: 397.43102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=CN=C(N=C21)C3CCCC(C3(N)O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C=NC2=CN=C(N=C21)C3CCCC(C3(N)O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N7O3/c1-2-25-11-22-15-10-21-17(24-18(15)25)14-4-3-5-16(19(14,20)27)23-12-6-8-13(9-7-12)26(28)29/h6-11,14,16,23,27H,2-5,20H2,1H3