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

Systemtic Name: 3-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-5-methyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-(2-bromo-4-isopropyl-phenyl)-N-butyl-5-methyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-(2-bromo-4-propan-2-ylphenyl)-N-butyl-5-methyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-(2-bromo-4-propan-2-ylphenyl)-N-butyl-5-methyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: [3-(2-bromo-4-isopropyl-phenyl)-5-methyl-triazolo[4,5-d]pyrimidin-7-yl]-butyl-amine Formula: C18H23BrN6 MolecularWeight: 403.31942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCCNC1=NC(=NC2=C1N=NN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C18H23BrN6/c1-5-6-9-20-17-16-18(22-12(4)21-17)25(24-23-16)15-8-7-13(11(2)3)10-14(15)19/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,21,22)