N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-nitropyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-nitropyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-[(3-nitro-2-pyridyl)sulfanyl]acetamide CAS Name: N-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-2-[(3-nitro-2-pyridinyl)thio]acetamide IUPAC Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-nitropyridin-2-yl)sulfanylacetamide Traditional Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-[(3-nitro-2-pyridyl)thio]acetamide Formula: C23H27N7O3S MolecularWeight: 481.57058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)CSC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=O)CSC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O3S/c1-29(2)21-17-6-3-4-7-18(17)27-23(28-21)26-16-11-9-15(10-12-16)25-20(31)14-34-22-19(30(32)33)8-5-13-24-22/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,31)(H,26,27,28)