1-[2,3-bis(trifluoromethyl)phenyl]-3-[3-methyl-2-[6-methyl-2-(morpholin-4-ylmethylamino)-1,4-dihydropyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea

Systemtic Name: 1-[2,3-bis(trifluoromethyl)phenyl]-3-[3-methyl-2-[6-methyl-2-(morpholin-4-ylmethylamino)-1,4-dihydropyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Openeye Name: 1-[2,3-bis(trifluoromethyl)phenyl]-3-[3-methyl-2-[6-methyl-2-(morpholinomethylamino)-1,4-dihydropyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea CAS Name: 1-[2,3-bis(trifluoromethyl)phenyl]-3-[3-methyl-2-[6-methyl-2-(4-morpholinylmethylamino)-1,4-dihydropyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea IUPAC Name: 1-[2,3-bis(trifluoromethyl)phenyl]-3-[3-methyl-2-[6-methyl-2-(morpholin-4-ylmethylamino)-1,4-dihydropyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Traditional Name: 1-[2,3-bis(trifluoromethyl)phenyl]-3-[3-methyl-2-[6-methyl-2-(morpholinomethylamino)-1,4-dihydropyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Formula: C27H28F6N8O2 MolecularWeight: 610.554039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC2=CC=CC(=C2C(F)(F)F)C(F)(F)F)C3=C4CN=C(N=C4NN3NCN5CCOCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC2=CC=CC(=C2C(F)(F)F)C(F)(F)F)C3=C4CN=C(N=C4NN3NCN5CCOCC5)C

InChI

InChI=1S/C27H28F6N8O2/c1-15-5-3-7-19(37-25(42)38-20-8-4-6-18(26(28,29)30)22(20)27(31,32)33)21(15)23-17-13-34-16(2)36-24(17)39-41(23)35-14-40-9-11-43-12-10-40/h3-8,35H,9-14H2,1-2H3,(H,34,36,39)(H2,37,38,42)