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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3

InChI

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