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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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