1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C24H29N7O3S MolecularWeight: 495.59716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7O3S/c1-30(2)22-18-6-4-5-7-19(18)27-23(29-22)25-15-8-10-16(11-9-15)26-24(35)28-20-13-12-17(31(32)33)14-21(20)34-3/h4-7,12-16H,8-11H2,1-3H3,(H,25,27,29)(H2,26,28,35)