N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(5-quinolyl)amine Formula: C25H23N7O4 MolecularWeight: 485.49462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC=CC6=C5C=CC=N6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC=CC6=C5C=CC=N6)[N+](=O)[O-]

InChI

InChI=1S/C25H23N7O4/c33-32(34)23-24(29-20-5-1-4-19-18(20)3-2-8-26-19)27-15-28-25(23)31-11-9-30(10-12-31)14-17-6-7-21-22(13-17)36-16-35-21/h1-8,13,15H,9-12,14,16H2,(H,27,28,29)