N-(5-bromanylpyridin-2-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-(5-bromanylpyridin-2-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-(5-bromo-2-pyridyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-(5-bromo-2-pyridinyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-(5-bromopyridin-2-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: (5-bromo-2-pyridyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C19H18BrN7O2 MolecularWeight: 456.29592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN7O2/c20-14-6-7-16(21-12-14)24-18-17(27(28)29)19(23-13-22-18)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,22,23,24)