2-chloranyl-8-hexyl-1-methyl-7H-purin-6-one

Systemtic Name: 2-chloranyl-8-hexyl-1-methyl-7H-purin-6-one Openeye Name: 2-chloro-8-hexyl-1-methyl-7H-purin-6-one CAS Name: 2-chloro-8-hexyl-1-methyl-7H-purin-6-one IUPAC Name: 2-chloro-8-hexyl-1-methyl-7H-purin-6-one Traditional Name: 2-chloro-8-hexyl-1-methyl-7H-purin-6-one Formula: C12H17ClN4O MolecularWeight: 268.74258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(N1)C(=O)N(C(=N2)Cl)C

Isomeric SMILES

CCCCCCC1=NC2=C(N1)C(=O)N(C(=N2)Cl)C

InChI

InChI=1S/C12H17ClN4O/c1-3-4-5-6-7-8-14-9-10(15-8)16-12(13)17(2)11(9)18/h3-7H2,1-2H3,(H,14,15)