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

Systemtic Name: 3-tert-butyl-1-(4-ethoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea Openeye Name: 3-tert-butyl-1-(4-ethoxyphenyl)-1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]urea CAS Name: 3-tert-butyl-1-(4-ethoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-4-pyrimidinyl]urea IUPAC Name: 3-tert-butyl-1-(4-ethoxyphenyl)-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-p-phenetyl-urea Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C2=NC(=NC=C2)NC(C)COC)C(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C2=NC(=NC=C2)N[C@@H](C)COC)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N5O3/c1-7-29-17-10-8-16(9-11-17)26(20(27)25-21(3,4)5)18-12-13-22-19(24-18)23-15(2)14-28-6/h8-13,15H,7,14H2,1-6H3,(H,25,27)(H,22,23,24)/t15-/m0/s1