1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-(3-methylphenyl)-1-phenyl-urea

Systemtic Name: 1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-(3-methylphenyl)-1-phenyl-urea Openeye Name: 1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]-3-(m-tolyl)-1-phenyl-urea CAS Name: 1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-4-pyrimidinyl]-3-(3-methylphenyl)-1-phenylurea IUPAC Name: 1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-3-(3-methylphenyl)-1-phenylurea Traditional Name: 1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]-3-(m-tolyl)-1-phenyl-urea Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N(C2=CC=CC=C2)C3=NC(=NC=C3)NC(C)COC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N(C2=CC=CC=C2)C3=NC(=NC=C3)N[C@@H](C)COC

InChI

InChI=1S/C22H25N5O2/c1-16-8-7-9-18(14-16)25-22(28)27(19-10-5-4-6-11-19)20-12-13-23-21(26-20)24-17(2)15-29-3/h4-14,17H,15H2,1-3H3,(H,25,28)(H,23,24,26)/t17-/m0/s1