8-ethylsulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-ethylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-ethylsulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(ethylthio)-1,3-dimethyl-xanthine Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-4-23-15-17-13-12(14(21)19(3)16(22)18(13)2)20(15)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3