N-[2-bromanyl-4-(trifluoromethyl)phenyl]-9-(1-methoxybutan-2-yl)-2-methyl-purin-6-amine

Systemtic Name: N-[2-bromanyl-4-(trifluoromethyl)phenyl]-9-(1-methoxybutan-2-yl)-2-methyl-purin-6-amine Openeye Name: N-[2-bromo-4-(trifluoromethyl)phenyl]-9-[1-(methoxymethyl)propyl]-2-methyl-purin-6-amine CAS Name: N-[2-bromo-4-(trifluoromethyl)phenyl]-9-(1-methoxybutan-2-yl)-2-methyl-6-purinamine IUPAC Name: N-[2-bromo-4-(trifluoromethyl)phenyl]-9-(1-methoxybutan-2-yl)-2-methylpurin-6-amine Traditional Name: [2-bromo-4-(trifluoromethyl)phenyl]-[9-[1-(methoxymethyl)propyl]-2-methyl-purin-6-yl]amine Formula: C18H19BrF3N5O MolecularWeight: 458.27557

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)N1C=NC2=C1N=C(N=C2NC3=C(C=C(C=C3)C(F)(F)F)Br)C

Isomeric SMILES

CCC(COC)N1C=NC2=C1N=C(N=C2NC3=C(C=C(C=C3)C(F)(F)F)Br)C

InChI

InChI=1S/C18H19BrF3N5O/c1-4-12(8-28-3)27-9-23-15-16(24-10(2)25-17(15)27)26-14-6-5-11(7-13(14)19)18(20,21)22/h5-7,9,12H,4,8H2,1-3H3,(H,24,25,26)