3-(1,3-benzodioxol-5-yl)-5-butyl-7-methyl-imidazo[4,5-e][1,2,4]triazin-6-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-butyl-7-methyl-imidazo[4,5-e][1,2,4]triazin-6-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-butyl-7-methyl-imidazo[4,5-e][1,2,4]triazin-6-one CAS Name: 3-(1,3-benzodioxol-5-yl)-5-butyl-7-methyl-6-imidazo[4,5-e][1,2,4]triazinone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-butyl-7-methylimidazo[4,5-e][1,2,4]triazin-6-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-butyl-7-methyl-imidazo[4,5-e][1,2,4]triazin-6-one Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=NC(=N2)C3=CC4=C(C=C3)OCO4)N(C1=O)C

Isomeric SMILES

CCCCN1C2=C(N=NC(=N2)C3=CC4=C(C=C3)OCO4)N(C1=O)C

InChI

InChI=1S/C16H17N5O3/c1-3-4-7-21-14-15(20(2)16(21)22)19-18-13(17-14)10-5-6-11-12(8-10)24-9-23-11/h5-6,8H,3-4,7,9H2,1-2H3