3-cyclohexyl-1-(3-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea

Systemtic Name: 3-cyclohexyl-1-(3-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea Openeye Name: 3-cyclohexyl-1-(3-fluorophenyl)-1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]urea CAS Name: 3-cyclohexyl-1-(3-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-4-pyrimidinyl]urea IUPAC Name: 3-cyclohexyl-1-(3-fluorophenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea Traditional Name: 3-cyclohexyl-1-(3-fluorophenyl)-1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]urea Formula: C21H28FN5O2 MolecularWeight: 401.477723

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=CC(=N1)N(C2=CC(=CC=C2)F)C(=O)NC3CCCCC3

Isomeric SMILES

C[C@@H](COC)NC1=NC=CC(=N1)N(C2=CC(=CC=C2)F)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H28FN5O2/c1-15(14-29-2)24-20-23-12-11-19(26-20)27(18-10-6-7-16(22)13-18)21(28)25-17-8-4-3-5-9-17/h6-7,10-13,15,17H,3-5,8-9,14H2,1-2H3,(H,25,28)(H,23,24,26)/t15-/m0/s1