7-[(3-bromophenyl)methyl]-8-ethylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-ethylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-ethylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-(ethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(ethylthio)-3-methyl-xanthine Formula: C15H15BrN4O2S MolecularWeight: 395.2742

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H15BrN4O2S/c1-3-23-15-17-12-11(13(21)18-14(22)19(12)2)20(15)8-9-5-4-6-10(16)7-9/h4-7H,3,8H2,1-2H3,(H,18,21,22)