1-[4-(6-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(6-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-isopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[(6-amino-4-pyrimidinyl)oxy]phenyl]-3-[4-[(4-propan-2-yl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-isopropylpiperazino)methyl]-3-(trifluoromethyl)phenyl]urea Formula: C26H30F3N7O2 MolecularWeight: 529.55731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)N)C(F)(F)F

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)N)C(F)(F)F

InChI

InChI=1S/C26H30F3N7O2/c1-17(2)36-11-9-35(10-12-36)15-18-3-4-20(13-22(18)26(27,28)29)34-25(37)33-19-5-7-21(8-6-19)38-24-14-23(30)31-16-32-24/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,30,31,32)(H2,33,34,37)