4-butyl-2-chloranyl-8-methyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one

Systemtic Name: 4-butyl-2-chloranyl-8-methyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one Openeye Name: 4-butyl-2-chloro-8-methyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one CAS Name: 4-butyl-2-chloro-8-methyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one IUPAC Name: 4-butyl-2-chloro-8-methyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one Traditional Name: 4-butyl-2-chloro-8-methyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one Formula: C11H13ClN6O MolecularWeight: 280.71352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=NC2=C3N=C(NN3C1=O)C)Cl

Isomeric SMILES

CCCCN1C2=NC(=NC2=C3N=C(NN3C1=O)C)Cl

InChI

InChI=1S/C11H13ClN6O/c1-3-4-5-17-8-7(14-10(12)15-8)9-13-6(2)16-18(9)11(17)19/h3-5H2,1-2H3,(H,13,16)