3,8-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3,8-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3,8-dimethyl-purine-2,6-dione CAS Name: 3,8-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3,8-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-3,8-dimethyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H14N4O2/c1-9-15-12-11(13(19)16-14(20)17(12)2)18(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,16,19,20)