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

Systemtic Name: 5-tert-butyl-N-cyclopropyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-benzyl-5-tert-butyl-N-cyclopropyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 5-tert-butyl-N-cyclopropyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-benzyl-5-tert-butyl-N-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (3-benzyl-5-tert-butyl-triazolo[4,5-d]pyrimidin-7-yl)-cyclopropyl-amine Formula: C18H22N6 MolecularWeight: 322.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)NC3CC3)N=NN2CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)NC3CC3)N=NN2CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6/c1-18(2,3)17-20-15(19-13-9-10-13)14-16(21-17)24(23-22-14)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,19,20,21)