3-methyl-7-phenacyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 3-methyl-7-phenacyl-xanthine Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O3/c1-17-12-11(13(20)16-14(17)21)18(8-15-12)7-10(19)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,20,21)