N-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)sulfanylphenyl]-4-[(6-nitroquinolin-4-yl)amino]benzenecarboximidate

Systemtic Name: N-[3-(2-azanyl-6-methyl-pyrimidin-4-yl)sulfanylphenyl]-4-[(6-nitroquinolin-4-yl)amino]benzenecarboximidate Openeye Name: N-[3-(2-amino-6-methyl-pyrimidin-4-yl)sulfanylphenyl]-4-[(6-nitro-4-quinolyl)amino]benzenecarboximidate CAS Name: N-[3-[(2-amino-6-methyl-4-pyrimidinyl)thio]phenyl]-4-[(6-nitro-4-quinolinyl)amino]benzenecarboximidate IUPAC Name: N-[3-(2-amino-6-methylpyrimidin-4-yl)sulfanylphenyl]-4-[(6-nitroquinolin-4-yl)amino]benzenecarboximidate Traditional Name: N-[3-[(2-amino-6-methyl-pyrimidin-4-yl)thio]phenyl]-4-[(6-nitro-4-quinolyl)amino]benzenecarboximidate Formula: C27H20N7O3S- MolecularWeight: 522.5578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)SC2=CC=CC(=C2)N=C(C3=CC=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)N)SC2=CC=CC(=C2)N=C(C3=CC=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C27H21N7O3S/c1-16-13-25(33-27(28)30-16)38-21-4-2-3-19(14-21)32-26(35)17-5-7-18(8-6-17)31-24-11-12-29-23-10-9-20(34(36)37)15-22(23)24/h2-15H,1H3,(H,29,31)(H,32,35)(H2,28,30,33)/p-1