3-methyl-7-oxidanyl-1-phenacyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-oxidanyl-1-phenacyl-purine-2,6-dione Openeye Name: 7-hydroxy-3-methyl-1-phenacyl-purine-2,6-dione CAS Name: 7-hydroxy-3-methyl-1-phenacylpurine-2,6-dione IUPAC Name: 7-hydroxy-3-methyl-1-phenacylpurine-2,6-dione Traditional Name: 7-hydroxy-3-methyl-1-phenacyl-xanthine Formula: C14H12N4O4 MolecularWeight: 300.26948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C=N2)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)C3=CC=CC=C3)N(C=N2)O

InChI

InChI=1S/C14H12N4O4/c1-16-12-11(18(22)8-15-12)13(20)17(14(16)21)7-10(19)9-5-3-2-4-6-9/h2-6,8,22H,7H2,1H3