N-(5-bromanylpyridin-2-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(5-bromanylpyridin-2-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-(5-bromo-2-pyridyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-(5-bromo-2-pyridinyl)-6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-(5-bromopyridin-2-yl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (5-bromo-2-pyridyl)-[6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H17BrClN7O2 MolecularWeight: 490.74098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrClN7O2/c20-13-4-5-16(22-11-13)25-18-17(28(29)30)19(24-12-23-18)27-8-6-26(7-9-27)15-3-1-2-14(21)10-15/h1-5,10-12H,6-9H2,(H,22,23,24,25)