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

Systemtic Name: 2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[(2-keto-2-mesityl-ethyl)thio]-3,7-dihydropurin-6-one Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3)C

InChI

InChI=1S/C16H16N4O2S/c1-8-4-9(2)12(10(3)5-8)11(21)6-23-16-19-14-13(15(22)20-16)17-7-18-14/h4-5,7H,6H2,1-3H3,(H2,17,18,19,20,22)