6-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexan-1-ol

Systemtic Name: 6-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]hexan-1-ol Openeye Name: 6-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]hexan-1-ol CAS Name: 6-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-hexanol IUPAC Name: 6-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]hexan-1-ol Traditional Name: 6-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]hexan-1-ol Formula: C16H20ClN5O3 MolecularWeight: 365.8147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCCCCCO)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCCCCCO)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H20ClN5O3/c17-12-5-7-13(8-6-12)20-16-19-11-14(22(24)25)15(21-16)18-9-3-1-2-4-10-23/h5-8,11,23H,1-4,9-10H2,(H2,18,19,20,21)