7-[(3,4-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3,4-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3,4-dimethylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3,4-dimethylbenzyl)-1,3-dimethyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C16H18N4O2/c1-10-5-6-12(7-11(10)2)8-20-9-17-14-13(20)15(21)19(4)16(22)18(14)3/h5-7,9H,8H2,1-4H3