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

Systemtic Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-isobutyl-thiourea CAS Name: 1-[4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-3-isobutyl-thiourea Formula: C21H32N6S MolecularWeight: 400.58398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NC1CCC(CC1)NC2=NC3=CC=CC=C3C(=N2)N(C)C

Isomeric SMILES

CC(C)CNC(=S)NC1CCC(CC1)NC2=NC3=CC=CC=C3C(=N2)N(C)C

InChI

InChI=1S/C21H32N6S/c1-14(2)13-22-21(28)24-16-11-9-15(10-12-16)23-20-25-18-8-6-5-7-17(18)19(26-20)27(3)4/h5-8,14-16H,9-13H2,1-4H3,(H2,22,24,28)(H,23,25,26)