1,3-dibutyl-7-(2-oxidanylidenepropyl)-4,5-dihydropurine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(2-oxidanylidenepropyl)-4,5-dihydropurine-2,6-dione Openeye Name: 7-acetonyl-1,3-dibutyl-4,5-dihydropurine-2,6-dione CAS Name: 1,3-dibutyl-7-(2-oxopropyl)-4,5-dihydropurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(2-oxopropyl)-4,5-dihydropurine-2,6-dione Traditional Name: 7-acetonyl-1,3-dibutyl-4,5-dihydropurine-2,6-quinone Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C

Isomeric SMILES

CCCCN1C2C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C

InChI

InChI=1S/C16H26N4O3/c1-4-6-8-19-14-13(18(11-17-14)10-12(3)21)15(22)20(16(19)23)9-7-5-2/h11,13-14H,4-10H2,1-3H3