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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3/c1-5-6-12-22-20(26)25(16-7-9-17(28-4)10-8-16)18-11-13-21-19(24-18)23-15(2)14-27-3/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,22,26)(H,21,23,24)/t15-/m0/s1