N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[(5-bromo-2-fluoro-phenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[(5-bromo-2-fluorophenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(5-bromo-2-fluoro-benzyl)amine Formula: C22H22BrFN6O2 MolecularWeight: 501.351483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=C(C=CC(=C4)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=C(C=CC(=C4)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C22H22BrFN6O2/c23-18-6-7-19(24)17(12-18)13-25-21-20(30(31)32)22(27-15-26-21)29-10-8-28(9-11-29)14-16-4-2-1-3-5-16/h1-7,12,15H,8-11,13-14H2,(H,25,26,27)