1,3-dimethyl-8-phenethylsulfanyl-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-phenethylsulfanyl-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-phenethylsulfanyl-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(phenethylthio)-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-phenethylsulfanyl-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(phenethylthio)-7-propyl-xanthine Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

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