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

Systemtic Name: 5-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]pentan-1-ol Openeye Name: 5-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]pentan-1-ol CAS Name: 5-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-pentanol IUPAC Name: 5-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]pentan-1-ol Traditional Name: 5-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]pentan-1-ol Formula: C15H18ClN5O3 MolecularWeight: 351.78812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN5O3/c16-11-4-6-12(7-5-11)19-15-18-10-13(21(23)24)14(20-15)17-8-2-1-3-9-22/h4-7,10,22H,1-3,8-9H2,(H2,17,18,19,20)