1,7-diethyl-8-ethylsulfanyl-3-phenyl-purine-2,6-dione

Systemtic Name: 1,7-diethyl-8-ethylsulfanyl-3-phenyl-purine-2,6-dione Openeye Name: 1,7-diethyl-8-ethylsulfanyl-3-phenyl-purine-2,6-dione CAS Name: 1,7-diethyl-8-(ethylthio)-3-phenylpurine-2,6-dione IUPAC Name: 1,7-diethyl-8-ethylsulfanyl-3-phenylpurine-2,6-dione Traditional Name: 1,7-diethyl-8-(ethylthio)-3-phenyl-xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC)N(C(=O)N(C2=O)CC)C3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(N=C1SCC)N(C(=O)N(C2=O)CC)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c1-4-19-13-14(18-16(19)24-6-3)21(12-10-8-7-9-11-12)17(23)20(5-2)15(13)22/h7-11H,4-6H2,1-3H3