7-ethyl-1,3-dimethyl-8-(2-methylphenoxy)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1OC3=CC=CC=C3C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1OC3=CC=CC=C3C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H18N4O3/c1-5-20-12-13(18(3)16(22)19(4)14(12)21)17-15(20)23-11-9-7-6-8-10(11)2/h6-9H,5H2,1-4H3