6-(3-phenylpropyl)-1,4a-dihydroimidazo[4,5-d][1,2,3]triazin-4-one

Systemtic Name: 6-(3-phenylpropyl)-1,4a-dihydroimidazo[4,5-d][1,2,3]triazin-4-one Openeye Name: 6-(3-phenylpropyl)-1,4a-dihydroimidazo[4,5-d]triazin-4-one CAS Name: 6-(3-phenylpropyl)-1,4a-dihydroimidazo[4,5-d]triazin-4-one IUPAC Name: 6-(3-phenylpropyl)-1,4a-dihydroimidazo[4,5-d]triazin-4-one Traditional Name: 6-(3-phenylpropyl)-1,4a-dihydroimidazo[4,5-d]triazin-4-one Formula: C13H13N5O MolecularWeight: 255.27522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=NC3C(=N2)NN=NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=NC3C(=N2)NN=NC3=O

InChI

InChI=1S/C13H13N5O/c19-13-11-12(16-18-17-13)15-10(14-11)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H,14,15,16,17,19)