3-butyl-7-(4-methylphenoxy)purine-2,6-dione

Systemtic Name: 3-butyl-7-(4-methylphenoxy)purine-2,6-dione Openeye Name: 3-butyl-7-(4-methylphenoxy)purine-2,6-dione CAS Name: 3-butyl-7-(4-methylphenoxy)purine-2,6-dione IUPAC Name: 3-butyl-7-(4-methylphenoxy)purine-2,6-dione Traditional Name: 3-butyl-7-(4-methylphenoxy)xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)OC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)OC3=CC=C(C=C3)C

InChI

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