1,3,7-trimethyl-8-phenethyloxy-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-phenethyloxy-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-phenethyloxy-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-phenethyloxypurine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-phenethyloxypurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-phenethyloxy-xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H18N4O3/c1-18-12-13(19(2)16(22)20(3)14(12)21)17-15(18)23-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3