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

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

C1CCC(C(C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CCC(C(C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C16H18ClN5O3/c17-10-5-7-11(8-6-10)19-16-18-9-13(22(24)25)15(21-16)20-12-3-1-2-4-14(12)23/h5-9,12,14,23H,1-4H2,(H2,18,19,20,21)