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

Systemtic Name: 4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexan-1-ol Openeye Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]cyclohexanol CAS Name: 4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-methylamino]-1-cyclohexanol IUPAC Name: 4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-methylamino]cyclohexan-1-ol Traditional Name: 4-[[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(C1CCC(CC1)O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1CCC(CC1)O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN5O3/c1-22(13-6-8-14(24)9-7-13)16-15(23(25)26)10-19-17(21-16)20-12-4-2-11(18)3-5-12/h2-5,10,13-14,24H,6-9H2,1H3,(H,19,20,21)