1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(6-aminopurin-9-yl)phenyl]-3-[4-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(4-adenin-9-ylphenyl)-3-[4-[3-(dimethylamino)propylamino]-3-(trifluoromethyl)phenyl]urea Formula: C24H26F3N9O MolecularWeight: 513.51815

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3C=NC4=C3N=CN=C4N)C(F)(F)F

Isomeric SMILES

CN(C)CCCNC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3C=NC4=C3N=CN=C4N)C(F)(F)F

InChI

InChI=1S/C24H26F3N9O/c1-35(2)11-3-10-29-19-9-6-16(12-18(19)24(25,26)27)34-23(37)33-15-4-7-17(8-5-15)36-14-32-20-21(28)30-13-31-22(20)36/h4-9,12-14,29H,3,10-11H2,1-2H3,(H2,28,30,31)(H2,33,34,37)