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

Systemtic Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3-iodanylphenyl)thiourea Openeye Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3-iodophenyl)thiourea CAS Name: 1-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-3-(3-iodophenyl)thiourea IUPAC Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3-iodophenyl)thiourea Traditional Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(3-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=C4)I

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NC(=S)NC4=CC(=CC=C4)I

InChI

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