3-methyl-1-(4-methyl-4-oxidanyl-pentyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-(4-methyl-4-oxidanyl-pentyl)-7H-purine-2,6-dione Openeye Name: 1-(4-hydroxy-4-methyl-pentyl)-3-methyl-7H-purine-2,6-dione CAS Name: 1-(4-hydroxy-4-methylpentyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-(4-hydroxy-4-methylpentyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 1-(4-hydroxy-4-methyl-pentyl)-3-methyl-7H-purine-2,6-quinone Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O

Isomeric SMILES

CC(C)(CCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O

InChI

InChI=1S/C12H18N4O3/c1-12(2,19)5-4-6-16-10(17)8-9(14-7-13-8)15(3)11(16)18/h7,19H,4-6H2,1-3H3,(H,13,14)