1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(4-nitrophenyl)thiourea Formula: C23H27N7O2S MolecularWeight: 465.57118

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O2S/c1-29(2)21-19-5-3-4-6-20(19)27-22(28-21)24-15-7-9-16(10-8-15)25-23(33)26-17-11-13-18(14-12-17)30(31)32/h3-6,11-16H,7-10H2,1-2H3,(H,24,27,28)(H2,25,26,33)