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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2C)CC3=CC=CC=C3

InChI

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