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

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-3,7-dihydropurin-6-one Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O2S/c1-8-2-4-9(5-3-8)10(19)6-21-14-17-12-11(13(20)18-14)15-7-16-12/h2-5,7H,6H2,1H3,(H2,15,16,17,18,20)