1,3-dimethyl-7H-purine-2,6-dione; methoxybenzene

Systemtic Name: 1,3-dimethyl-7H-purine-2,6-dione; methoxybenzene Openeye Name: anisole; 1,3-dimethyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-7H-purine-2,6-dione; methoxybenzene IUPAC Name: anisole; 1,3-dimethyl-7H-purine-2,6-dione Traditional Name: anisole; theophylline Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC1=CC=CC=C1

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC1=CC=CC=C1

InChI

InChI=1S/C7H8N4O2.C7H8O/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-8-7-5-3-2-4-6-7/h3H,1-2H3,(H,8,9);2-6H,1H3