1-(4-oxidanylbutyl)-3-propyl-7H-purine-2,6-dione

Systemtic Name: 1-(4-oxidanylbutyl)-3-propyl-7H-purine-2,6-dione Openeye Name: 1-(4-hydroxybutyl)-3-propyl-7H-purine-2,6-dione CAS Name: 1-(4-hydroxybutyl)-3-propyl-7H-purine-2,6-dione IUPAC Name: 1-(4-hydroxybutyl)-3-propyl-7H-purine-2,6-dione Traditional Name: 1-(4-hydroxybutyl)-3-propyl-7H-purine-2,6-quinone Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCCCO)NC=N2

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCCCO)NC=N2

InChI

InChI=1S/C12H18N4O3/c1-2-5-15-10-9(13-8-14-10)11(18)16(12(15)19)6-3-4-7-17/h8,17H,2-7H2,1H3,(H,13,14)