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

Systemtic Name: 8-ethylsulfanyl-7-[(3-iodanylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-[(3-iodophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-7-[(3-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-7-[(3-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-(3-iodobenzyl)-1,3-dimethyl-xanthine Formula: C16H17IN4O2S MolecularWeight: 456.30125

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=CC(=CC=C3)I)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCSC1=NC2=C(N1CC3=CC(=CC=C3)I)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H17IN4O2S/c1-4-24-15-18-13-12(14(22)20(3)16(23)19(13)2)21(15)9-10-6-5-7-11(17)8-10/h5-8H,4,9H2,1-3H3