5-bromanyl-8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-quinoline

Systemtic Name: 5-bromanyl-8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-quinoline Openeye Name: 5-bromo-8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-quinoline CAS Name: 5-bromo-8-[[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]quinoline IUPAC Name: 5-bromo-8-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxyquinoline Traditional Name: 5-bromo-8-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxy-quinoline Formula: C25H23BrN6O3 MolecularWeight: 535.39252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=C5C(=C(C=C4)Br)C=CC=N5)[N+](=O)[O-])C

InChI

InChI=1S/C25H23BrN6O3/c1-16-5-3-7-20(17(16)2)30-11-13-31(14-12-30)24-23(32(33)34)25(29-15-28-24)35-21-9-8-19(26)18-6-4-10-27-22(18)21/h3-10,15H,11-14H2,1-2H3