1-[3-[[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[3-[[6-[(2-methylquinolin-5-yl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[3-[[6-[(2-methyl-5-quinolyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[3-[[6-[(2-methyl-5-quinolinyl)amino]-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[3-[[6-[(2-methylquinolin-5-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[3-[[6-[(2-methyl-5-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=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC(=C4)C(=O)C

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=CC(=C4)C(=O)C

InChI

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