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

Systemtic Name: 3-butyl-1-(4-ethoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea Openeye Name: 3-butyl-1-(4-ethoxyphenyl)-1-[2-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-4-yl]urea CAS Name: 3-butyl-1-(4-ethoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]-4-pyrimidinyl]urea IUPAC Name: 3-butyl-1-(4-ethoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea Traditional Name: 3-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:

CCCCNC(=O)N(C1=CC=C(C=C1)OCC)C2=NC(=NC=C2)NC(C)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3/c1-5-7-13-23-21(27)26(17-8-10-18(11-9-17)29-6-2)19-12-14-22-20(25-19)24-16(3)15-28-4/h8-12,14,16H,5-7,13,15H2,1-4H3,(H,23,27)(H,22,24,25)/t16-/m0/s1