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

Systemtic Name: 8-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-5-bromanyl-quinoline Openeye Name: 8-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-5-bromo-quinoline CAS Name: 8-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]-5-bromoquinoline IUPAC Name: 8-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxy-5-bromoquinoline Traditional Name: 5-bromo-8-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]oxy-quinoline Formula: C25H21BrN6O5 MolecularWeight: 565.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=C6C(=C(C=C5)Br)C=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)OC5=C6C(=C(C=C5)Br)C=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C25H21BrN6O5/c26-18-4-6-20(22-17(18)2-1-7-27-22)37-25-23(32(33)34)24(28-14-29-25)31-10-8-30(9-11-31)13-16-3-5-19-21(12-16)36-15-35-19/h1-7,12,14H,8-11,13,15H2