1-[4-[1-[(2-diethylaminoethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-[1-[(2-diethylaminoethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2-fluoranyl-5-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-[1-[(2-diethylaminoethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[1-[(2-diethylaminoethylamino)methyl]-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-[1-[(2-diethylaminoethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-[1-[(2-diethylaminoethylamino)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea Formula: C26H28F4N8O MolecularWeight: 544.547133

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCN1C2=NC=NC=C2C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F

Isomeric SMILES

CCN(CC)CCNCN1C2=NC=NC=C2C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F

InChI

InChI=1S/C26H28F4N8O/c1-3-37(4-2)12-11-31-16-38-24-20(14-32-15-33-24)23(36-38)17-5-8-19(9-6-17)34-25(39)35-22-13-18(26(28,29)30)7-10-21(22)27/h5-10,13-15,31H,3-4,11-12,16H2,1-2H3,(H2,34,35,39)