8-chloranyl-7-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(2-ethoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(2-ethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(2-ethoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-ethoxybenzyl)-1,3-dimethyl-xanthine Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCOC1=CC=CC=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H17ClN4O3/c1-4-24-11-8-6-5-7-10(11)9-21-12-13(18-15(21)17)19(2)16(23)20(3)14(12)22/h5-8H,4,9H2,1-3H3