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

Systemtic Name: 5-tert-butyl-3-(phenylmethyl)-N-prop-2-ynyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-benzyl-5-tert-butyl-N-prop-2-ynyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 5-tert-butyl-3-(phenylmethyl)-N-prop-2-ynyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-benzyl-5-tert-butyl-N-prop-2-ynyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (3-benzyl-5-tert-butyl-triazolo[4,5-d]pyrimidin-7-yl)-propargyl-amine Formula: C18H20N6 MolecularWeight: 320.3916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)NCC#C)N=NN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)NCC#C)N=NN2CC3=CC=CC=C3

InChI

InChI=1S/C18H20N6/c1-5-11-19-15-14-16(21-17(20-15)18(2,3)4)24(23-22-14)12-13-9-7-6-8-10-13/h1,6-10H,11-12H2,2-4H3,(H,19,20,21)