5-butyl-N-cycloheptyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 5-butyl-N-cycloheptyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-benzyl-5-butyl-N-cycloheptyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 5-butyl-N-cycloheptyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-benzyl-5-butyl-N-cycloheptyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (3-benzyl-5-butyl-triazolo[4,5-d]pyrimidin-7-yl)-cycloheptyl-amine Formula: C22H30N6 MolecularWeight: 378.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)NC3CCCCCC3)N=NN2CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)NC3CCCCCC3)N=NN2CC4=CC=CC=C4

InChI

InChI=1S/C22H30N6/c1-2-3-15-19-24-21(23-18-13-9-4-5-10-14-18)20-22(25-19)28(27-26-20)16-17-11-7-6-8-12-17/h6-8,11-12,18H,2-5,9-10,13-16H2,1H3,(H,23,24,25)