1,7-dimethyl-3-phenacyl-purine-2,6-dione

Systemtic Name: 1,7-dimethyl-3-phenacyl-purine-2,6-dione Openeye Name: 1,7-dimethyl-3-phenacyl-purine-2,6-dione CAS Name: 1,7-dimethyl-3-phenacylpurine-2,6-dione IUPAC Name: 1,7-dimethyl-3-phenacylpurine-2,6-dione Traditional Name: 1,7-dimethyl-3-phenacyl-xanthine Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C15H14N4O3/c1-17-9-16-13-12(17)14(21)18(2)15(22)19(13)8-11(20)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3