3-tert-butyl-1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea

Systemtic Name: 3-tert-butyl-1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea Openeye Name: 3-tert-butyl-1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea CAS Name: 3-tert-butyl-1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-4-pyrimidinyl]urea IUPAC Name: 3-tert-butyl-1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea Traditional Name: 3-tert-butyl-1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3/c1-14(13-27-5)22-18-21-12-11-17(23-18)25(19(26)24-20(2,3)4)15-7-9-16(28-6)10-8-15/h7-12,14H,13H2,1-6H3,(H,24,26)(H,21,22,23)/t14-/m0/s1