8-ethoxy-1,7-dimethyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-ethoxy-1,7-dimethyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-ethoxy-1,7-dimethyl-purine-2,6-dione CAS Name: 8-ethoxy-1,7-dimethyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-ethoxy-1,7-dimethylpurine-2,6-dione Traditional Name: 3-benzyl-8-ethoxy-1,7-dimethyl-xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2CC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2CC3=CC=CC=C3)C

InChI

InChI=1S/C16H18N4O3/c1-4-23-15-17-13-12(18(15)2)14(21)19(3)16(22)20(13)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3