4-(dimethylamino)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[4-[(6-methyl-4-pyrimidinyl)amino]phenyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3/c1-13-10-19(22-12-21-13)23-15-5-7-16(8-6-15)24-20(27)14-4-9-17(25(2)3)18(11-14)26(28)29/h4-12H,1-3H3,(H,24,27)(H,21,22,23)