3-ethyl-8-methyl-1-(3-oxidanylbutyl)-7H-purine-2,6-dione

Systemtic Name: 3-ethyl-8-methyl-1-(3-oxidanylbutyl)-7H-purine-2,6-dione Openeye Name: 3-ethyl-1-(3-hydroxybutyl)-8-methyl-7H-purine-2,6-dione CAS Name: 3-ethyl-1-(3-hydroxybutyl)-8-methyl-7H-purine-2,6-dione IUPAC Name: 3-ethyl-1-(3-hydroxybutyl)-8-methyl-7H-purine-2,6-dione Traditional Name: 3-ethyl-1-(3-hydroxybutyl)-8-methyl-7H-purine-2,6-quinone Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCC(C)O)NC(=N2)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCC(C)O)NC(=N2)C

InChI

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