3-ethyl-7-(phenylmethyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

InChI

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