N-[4-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]butyl]-3-nitro-benzamide

Systemtic Name: N-[4-[(5-bromanyl-2-chloranyl-pyrimidin-4-yl)amino]butyl]-3-nitro-benzamide Openeye Name: N-[4-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]butyl]-3-nitro-benzamide CAS Name: N-[4-[(5-bromo-2-chloro-4-pyrimidinyl)amino]butyl]-3-nitrobenzamide IUPAC Name: N-[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butyl]-3-nitrobenzamide Traditional Name: N-[4-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]butyl]-3-nitro-benzamide Formula: C15H15BrClN5O3 MolecularWeight: 428.6683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCCNC2=NC(=NC=C2Br)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCCNC2=NC(=NC=C2Br)Cl

InChI

InChI=1S/C15H15BrClN5O3/c16-12-9-20-15(17)21-13(12)18-6-1-2-7-19-14(23)10-4-3-5-11(8-10)22(24)25/h3-5,8-9H,1-2,6-7H2,(H,19,23)(H,18,20,21)