1-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexan-1-ol

Systemtic Name: 1-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexan-1-ol Openeye Name: 1-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexanol CAS Name: 1-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-methylamino]-1-cyclohexanol IUPAC Name: 1-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-methylamino]cyclohexan-1-ol Traditional Name: 1-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexanol Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C3(CCCCC3)O

Isomeric SMILES

CN(C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)C3(CCCCC3)O

InChI

InChI=1S/C17H20ClN5O3/c1-22(17(24)9-3-2-4-10-17)15-14(23(25)26)11-19-16(21-15)20-13-7-5-12(18)6-8-13/h5-8,11,24H,2-4,9-10H2,1H3,(H,19,20,21)