1-[4-[[3-(dimethylamino)propyl-methyl-amino]methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea

Systemtic Name: 1-[4-[[3-(dimethylamino)propyl-methyl-amino]methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Openeye Name: 1-[4-[[3-(dimethylamino)propyl-methyl-amino]methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea CAS Name: 1-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)-9-purinyl]phenyl]urea IUPAC Name: 1-[4-[[3-(dimethylamino)propyl-methylamino]methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Traditional Name: 1-[4-[[3-(dimethylamino)propyl-methyl-amino]methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)purin-9-yl]phenyl]urea Formula: C27H32F3N9O MolecularWeight: 555.59789

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)CN(C)CCCN(C)C)C(F)(F)F

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)CN(C)CCCN(C)C)C(F)(F)F

InChI

InChI=1S/C27H32F3N9O/c1-31-24-23-25(33-16-32-24)39(17-34-23)21-10-8-19(9-11-21)35-26(40)36-20-7-6-18(22(14-20)27(28,29)30)15-38(4)13-5-12-37(2)3/h6-11,14,16-17H,5,12-13,15H2,1-4H3,(H,31,32,33)(H2,35,36,40)