1-butyl-7-(2-oxidanylidenepropyl)-3-phenyl-purine-2,6-dione

Systemtic Name: 1-butyl-7-(2-oxidanylidenepropyl)-3-phenyl-purine-2,6-dione Openeye Name: 7-acetonyl-1-butyl-3-phenyl-purine-2,6-dione CAS Name: 1-butyl-7-(2-oxopropyl)-3-phenylpurine-2,6-dione IUPAC Name: 1-butyl-7-(2-oxopropyl)-3-phenylpurine-2,6-dione Traditional Name: 7-acetonyl-1-butyl-3-phenyl-xanthine Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3/c1-3-4-10-21-17(24)15-16(19-12-20(15)11-13(2)23)22(18(21)25)14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3