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

Systemtic Name: 5-butyl-N-phenyl-3-(phenylmethyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-benzyl-5-butyl-N-phenyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 5-butyl-N-phenyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-benzyl-5-butyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (3-benzyl-5-butyl-triazolo[4,5-d]pyrimidin-7-yl)-phenyl-amine Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)NC3=CC=CC=C3)N=NN2CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)NC3=CC=CC=C3)N=NN2CC4=CC=CC=C4

InChI

InChI=1S/C21H22N6/c1-2-3-14-18-23-20(22-17-12-8-5-9-13-17)19-21(24-18)27(26-25-19)15-16-10-6-4-7-11-16/h4-13H,2-3,14-15H2,1H3,(H,22,23,24)