7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 3-methyl-7-p-anisyl-xanthine Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C14H14N4O3/c1-17-12-11(13(19)16-14(17)20)18(8-15-12)7-9-3-5-10(21-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,19,20)