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

Systemtic Name: 8-ethylsulfanyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-ethylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-ethylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(ethylthio)-3-methyl-xanthine Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-3-22-15-16-12-11(13(20)17-14(21)18(12)2)19(15)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,17,20,21)