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

Systemtic Name: 4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]cyclohexanol Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CC(CCC1NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C16H18ClN5O3/c17-10-1-3-12(4-2-10)20-16-18-9-14(22(24)25)15(21-16)19-11-5-7-13(23)8-6-11/h1-4,9,11,13,23H,5-8H2,(H2,18,19,20,21)