1,8-dimethyl-3-phenyl-7H-purine-2,6-dione

Systemtic Name: 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione Openeye Name: 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione CAS Name: 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione IUPAC Name: 1,8-dimethyl-3-phenyl-7H-purine-2,6-dione Traditional Name: 1,8-dimethyl-3-phenyl-7H-purine-2,6-quinone Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)C

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)C

InChI

InChI=1S/C13H12N4O2/c1-8-14-10-11(15-8)17(9-6-4-3-5-7-9)13(19)16(2)12(10)18/h3-7H,1-2H3,(H,14,15)