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

Systemtic Name: 8-decylsulfanyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-decylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 8-(decylthio)-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-decylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-(decylthio)-3-methyl-xanthine Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H32N4O2S/c1-3-4-5-6-7-8-9-13-16-30-23-24-20-19(21(28)25-22(29)26(20)2)27(23)17-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3,(H,25,28,29)