N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]-3-nitro-benzamide

Systemtic Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]-3-nitro-benzamide Openeye Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]-3-nitro-benzamide CAS Name: N-[4-[[6-(dimethylamino)-2-methyl-4-pyrimidinyl]amino]cyclohexyl]-3-nitrobenzamide IUPAC Name: N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-3-nitrobenzamide Traditional Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]cyclohexyl]-3-nitro-benzamide Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N(C)C)NC2CCC(CC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC(=N1)N(C)C)NC2CCC(CC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O3/c1-13-21-18(12-19(22-13)25(2)3)23-15-7-9-16(10-8-15)24-20(27)14-5-4-6-17(11-14)26(28)29/h4-6,11-12,15-16H,7-10H2,1-3H3,(H,24,27)(H,21,22,23)