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N4-[(3-bromophenyl)methyl]-N2-[2-[(5-nitropyridin-2-yl)amino]ethyl]pyrimidine-2,4-diamine

N4-[(3-bromophenyl)methyl]-N2-[2-[(5-nitropyridin-2-yl)amino]ethyl]pyrimidine-2,4-diamine

Systemtic Name:N4-[(3-bromophenyl)methyl]-N2-[2-[(5-nitropyridin-2-yl)amino]ethyl]pyrimidine-2,4-diamine
Openeye Name:N4-[(3-bromophenyl)methyl]-N2-[2-[(5-nitro-2-pyridyl)amino]ethyl]pyrimidine-2,4-diamine
CAS Name:N4-[(3-bromophenyl)methyl]-N2-[2-[(5-nitro-2-pyridinyl)amino]ethyl]pyrimidine-2,4-diamine
IUPAC Name:4-N-[(3-bromophenyl)methyl]-2-N-[2-[(5-nitropyridin-2-yl)amino]ethyl]pyrimidine-2,4-diamine
Traditional Name:(3-bromobenzyl)-[2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]amine
Formula: C18H18BrN7O2
MolecularWeight: 444.28522
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC2=NC(=NC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC2=NC(=NC=C2)NCCNC3=NC=C(C=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H18BrN7O2/c19-14-3-1-2-13(10-14)11-23-17-6-7-21-18(25-17)22-9-8-20-16-5-4-15(12-24-16)26(27)28/h1-7,10,12H,8-9,11H2,(H,20,24)(H2,21,22,23,25)


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