N-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine

Systemtic Name: N-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine Openeye Name: N-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine CAS Name: N-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-2-methyl-5-quinolinamine IUPAC Name: N-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-methylquinolin-5-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC(=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N7O2/c1-3-25-9-11-26(12-10-25)20-18(27(28)29)19(21-13-22-20)24-17-6-4-5-16-15(17)8-7-14(2)23-16/h4-8,13H,3,9-12H2,1-2H3,(H,21,22,24)