N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine

Systemtic Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine Openeye Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine CAS Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-methyl-5-quinolinamine IUPAC Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-5-amine Traditional Name: (2-methyl-5-quinolyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C26H25N7O4 MolecularWeight: 499.5212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H25N7O4/c1-17-5-7-19-20(29-17)3-2-4-21(19)30-25-24(33(34)35)26(28-15-27-25)32-11-9-31(10-12-32)14-18-6-8-22-23(13-18)37-16-36-22/h2-8,13,15H,9-12,14,16H2,1H3,(H,27,28,30)