3-butyl-1-(phenylcarbonyl)-7H-purine-2,6-dione

Systemtic Name: 3-butyl-1-(phenylcarbonyl)-7H-purine-2,6-dione Openeye Name: 1-benzoyl-3-butyl-7H-purine-2,6-dione CAS Name: 1-benzoyl-3-butyl-7H-purine-2,6-dione IUPAC Name: 1-benzoyl-3-butyl-7H-purine-2,6-dione Traditional Name: 1-benzoyl-3-butyl-7H-purine-2,6-quinone Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C(=O)C3=CC=CC=C3)NC=N2

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C(=O)C3=CC=CC=C3)NC=N2

InChI

InChI=1S/C16H16N4O3/c1-2-3-9-19-13-12(17-10-18-13)15(22)20(16(19)23)14(21)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18)