5-bromanyl-8-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 5-bromanyl-8-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxy-quinoline Openeye Name: 8-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline CAS Name: 5-bromo-8-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]quinoline IUPAC Name: 8-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxy-5-bromoquinoline Traditional Name: 8-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline Formula: C24H21BrN6O3 MolecularWeight: 521.36594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C24H21BrN6O3/c25-19-8-9-20(21-18(19)7-4-10-26-21)34-24-22(31(32)33)23(27-16-28-24)30-13-11-29(12-14-30)15-17-5-2-1-3-6-17/h1-10,16H,11-15H2