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

Systemtic Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-iodanylphenyl)thiourea Openeye Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-iodophenyl)thiourea CAS Name: 1-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-3-(2-iodophenyl)thiourea IUPAC Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-iodophenyl)thiourea Traditional Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-iodophenyl)thiourea Formula: C23H27IN6S MolecularWeight: 546.47015

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=S)NC4=CC=CC=C4I

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=S)NC4=CC=CC=C4I

InChI

InChI=1S/C23H27IN6S/c1-30(2)21-17-7-3-5-9-19(17)27-22(29-21)25-15-11-13-16(14-12-15)26-23(31)28-20-10-6-4-8-18(20)24/h3-10,15-16H,11-14H2,1-2H3,(H,25,27,29)(H2,26,28,31)