2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-3,7-dihydropurin-6-one Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C15H14N4O2S/c1-2-9-3-5-10(6-4-9)11(20)7-22-15-18-13-12(14(21)19-15)16-8-17-13/h3-6,8H,2,7H2,1H3,(H2,16,17,18,19,21)