1-ethyl-8-methyl-3-pentyl-7H-purine-2,6-dione

Systemtic Name: 1-ethyl-8-methyl-3-pentyl-7H-purine-2,6-dione Openeye Name: 1-ethyl-8-methyl-3-pentyl-7H-purine-2,6-dione CAS Name: 1-ethyl-8-methyl-3-pentyl-7H-purine-2,6-dione IUPAC Name: 1-ethyl-8-methyl-3-pentyl-7H-purine-2,6-dione Traditional Name: 3-amyl-1-ethyl-8-methyl-7H-purine-2,6-quinone Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C

Isomeric SMILES

CCCCCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C

InChI

InChI=1S/C13H20N4O2/c1-4-6-7-8-17-11-10(14-9(3)15-11)12(18)16(5-2)13(17)19/h4-8H2,1-3H3,(H,14,15)