N-(2-bromanyl-4,6-dimethoxy-phenyl)-3-(1-methoxybutan-2-yl)-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: N-(2-bromanyl-4,6-dimethoxy-phenyl)-3-(1-methoxybutan-2-yl)-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-(2-bromo-4,6-dimethoxy-phenyl)-3-[1-(methoxymethyl)propyl]-5-methyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: N-(2-bromo-4,6-dimethoxyphenyl)-3-(1-methoxybutan-2-yl)-5-methyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: N-(2-bromo-4,6-dimethoxyphenyl)-3-(1-methoxybutan-2-yl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (2-bromo-4,6-dimethoxy-phenyl)-[3-[1-(methoxymethyl)propyl]-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]amine Formula: C18H23BrN6O3 MolecularWeight: 451.31762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)N1C2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3Br)OC)OC)N=N1

Isomeric SMILES

CCC(COC)N1C2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3Br)OC)OC)N=N1

InChI

InChI=1S/C18H23BrN6O3/c1-6-11(9-26-3)25-18-16(23-24-25)17(20-10(2)21-18)22-15-13(19)7-12(27-4)8-14(15)28-5/h7-8,11H,6,9H2,1-5H3,(H,20,21,22)