1-hexyl-3-methyl-7H-purine-2,6-dione

Systemtic Name: 1-hexyl-3-methyl-7H-purine-2,6-dione Openeye Name: 1-hexyl-3-methyl-7H-purine-2,6-dione CAS Name: 1-hexyl-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-hexyl-3-methyl-7H-purine-2,6-dione Traditional Name: 1-hexyl-3-methyl-7H-purine-2,6-quinone Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C

InChI

InChI=1S/C12H18N4O2/c1-3-4-5-6-7-16-11(17)9-10(14-8-13-9)15(2)12(16)18/h8H,3-7H2,1-2H3,(H,13,14)