3-[2,3-bis(chloranyl)phenyl]-1-[2-[[(2S)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrimidin-4-yl]-1-phenyl-urea

Systemtic Name: 3-[2,3-bis(chloranyl)phenyl]-1-[2-[[(2S)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrimidin-4-yl]-1-phenyl-urea Openeye Name: 3-(2,3-dichlorophenyl)-1-[2-[[(1S)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-phenyl-urea CAS Name: 3-(2,3-dichlorophenyl)-1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-4-pyrimidinyl]-1-phenylurea IUPAC Name: 3-(2,3-dichlorophenyl)-1-[2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-phenylurea Traditional Name: 3-(2,3-dichlorophenyl)-1-[2-[[(1S)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-phenyl-urea Formula: C22H23Cl2N5O2 MolecularWeight: 460.35632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)O)NC1=NC=CC(=N1)N(C2=CC=CC=C2)C(=O)NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

C[C@@H](C(C)(C)O)NC1=NC=CC(=N1)N(C2=CC=CC=C2)C(=O)NC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N5O2/c1-14(22(2,3)31)26-20-25-13-12-18(28-20)29(15-8-5-4-6-9-15)21(30)27-17-11-7-10-16(23)19(17)24/h4-14,31H,1-3H3,(H,27,30)(H,25,26,28)/t14-/m0/s1