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

Systemtic Name: 1-butyl-3-cyclopropyl-7-(2-oxidanylidenepropyl)-4,5-dihydropurine-2,6-dione Openeye Name: 7-acetonyl-1-butyl-3-cyclopropyl-4,5-dihydropurine-2,6-dione CAS Name: 1-butyl-3-cyclopropyl-7-(2-oxopropyl)-4,5-dihydropurine-2,6-dione IUPAC Name: 1-butyl-3-cyclopropyl-7-(2-oxopropyl)-4,5-dihydropurine-2,6-dione Traditional Name: 7-acetonyl-1-butyl-3-cyclopropyl-4,5-dihydropurine-2,6-quinone Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(N=CN2CC(=O)C)N(C1=O)C3CC3

Isomeric SMILES

CCCCN1C(=O)C2C(N=CN2CC(=O)C)N(C1=O)C3CC3

InChI

InChI=1S/C15H22N4O3/c1-3-4-7-18-14(21)12-13(16-9-17(12)8-10(2)20)19(15(18)22)11-5-6-11/h9,11-13H,3-8H2,1-2H3