1-(4-bromanyl-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]urea

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]urea Openeye Name: 1-(4-bromo-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]urea CAS Name: 1-(4-bromo-2-methylphenyl)-3-[4-[[4-(dimethylamino)-2-pyrimidinyl]amino]cyclohexyl]urea IUPAC Name: 1-(4-bromo-2-methylphenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]urea Traditional Name: 1-(4-bromo-2-methyl-phenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]urea Formula: C20H27BrN6O MolecularWeight: 447.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)NC2CCC(CC2)NC3=NC=CC(=N3)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)NC2CCC(CC2)NC3=NC=CC(=N3)N(C)C

InChI

InChI=1S/C20H27BrN6O/c1-13-12-14(21)4-9-17(13)25-20(28)24-16-7-5-15(6-8-16)23-19-22-11-10-18(26-19)27(2)3/h4,9-12,15-16H,5-8H2,1-3H3,(H,22,23,26)(H2,24,25,28)