5-bromanyl-2-chloranyl-N-[3-(2-nitrophenoxy)propyl]pyrimidin-4-amine

Systemtic Name: 5-bromanyl-2-chloranyl-N-[3-(2-nitrophenoxy)propyl]pyrimidin-4-amine Openeye Name: 5-bromo-2-chloro-N-[3-(2-nitrophenoxy)propyl]pyrimidin-4-amine CAS Name: 5-bromo-2-chloro-N-[3-(2-nitrophenoxy)propyl]-4-pyrimidinamine IUPAC Name: 5-bromo-2-chloro-N-[3-(2-nitrophenoxy)propyl]pyrimidin-4-amine Traditional Name: (5-bromo-2-chloro-pyrimidin-4-yl)-[3-(2-nitrophenoxy)propyl]amine Formula: C13H12BrClN4O3 MolecularWeight: 387.61638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCCCNC2=NC(=NC=C2Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCCCNC2=NC(=NC=C2Br)Cl

InChI

InChI=1S/C13H12BrClN4O3/c14-9-8-17-13(15)18-12(9)16-6-3-7-22-11-5-2-1-4-10(11)19(20)21/h1-2,4-5,8H,3,6-7H2,(H,16,17,18)