8-butylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(butylthio)-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(butylthio)-3-methyl-7-phenethyl-xanthine Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H22N4O2S/c1-3-4-12-25-18-19-15-14(16(23)20-17(24)21(15)2)22(18)11-10-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,20,23,24)