3-heptyl-5-phenyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-heptyl-5-phenyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-heptyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-heptyl-5-phenyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-heptyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (3-heptyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-yl)amine Formula: C17H22N6 MolecularWeight: 310.39678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N)N=N1

Isomeric SMILES

CCCCCCCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N)N=N1

InChI

InChI=1S/C17H22N6/c1-2-3-4-5-9-12-23-17-14(21-22-23)15(18)19-16(20-17)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H2,18,19,20)