8-cyclopentyl-1-(2-oxidanylidenepropyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-cyclopentyl-1-(2-oxidanylidenepropyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-acetonyl-8-cyclopentyl-3,7-dihydropurine-2,6-dione CAS Name: 8-cyclopentyl-1-(2-oxopropyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-cyclopentyl-1-(2-oxopropyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-acetonyl-8-cyclopentyl-7H-xanthine Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=C(NC1=O)N=C(N2)C3CCCC3

Isomeric SMILES

CC(=O)CN1C(=O)C2=C(NC1=O)N=C(N2)C3CCCC3

InChI

InChI=1S/C13H16N4O3/c1-7(18)6-17-12(19)9-11(16-13(17)20)15-10(14-9)8-4-2-3-5-8/h8H,2-6H2,1H3,(H,14,15)(H,16,20)