N-(4-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-bromophenyl)-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-bromophenyl)-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-bromophenyl)-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H18BrN5O2 MolecularWeight: 392.25042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN5O2/c1-11-4-2-3-9-21(11)16-14(22(23)24)15(18-10-19-16)20-13-7-5-12(17)6-8-13/h5-8,10-11H,2-4,9H2,1H3,(H,18,19,20)