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

Systemtic Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 1-ethyl-7-[(4-methoxyphenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 1-ethyl-3-methyl-7-p-anisyl-xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CC3=CC=C(C=C3)OC)N(C1=O)C

InChI

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