N-(5-bromanylpyridin-2-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-(5-bromanylpyridin-2-yl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(5-bromo-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-bromo-2-pyridinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-(5-bromopyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-(5-bromo-2-pyridyl)amine Formula: C21H21BrN6O2 MolecularWeight: 469.33444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)NC4=NC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrN6O2/c22-17-6-7-18(23-13-17)26-20-19(28(29)30)21(25-14-24-20)27-10-8-16(9-11-27)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,23,24,25,26)