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

Systemtic Name: 2-methyl-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-2-methyl-quinoline CAS Name: 2-methyl-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-2-methylquinoline Traditional Name: 8-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5)C=C1

InChI

InChI=1S/C25H24N6O3/c1-18-10-11-20-8-5-9-21(22(20)28-18)34-25-23(31(32)33)24(26-17-27-25)30-14-12-29(13-15-30)16-19-6-3-2-4-7-19/h2-11,17H,12-16H2,1H3