1-[4-[[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[6-[(2-methylquinolin-8-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-[(2-methyl-8-quinolinyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-[(2-methylquinolin-8-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-[(2-methyl-8-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)C)C=C1

InChI

InChI=1S/C22H18N6O3/c1-13-6-7-16-4-3-5-18(19(16)25-13)27-22-20(28(30)31)21(23-12-24-22)26-17-10-8-15(9-11-17)14(2)29/h3-12H,1-2H3,(H2,23,24,26,27)