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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-9(2)10-3-5-11(6-4-10)12(21)7-23-16-19-14-13(15(22)20-16)17-8-18-14/h3-6,8-9H,7H2,1-2H3,(H2,17,18,19,20,22)