N-(3,4-dimethylphenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(6-keto-3,7-dihydropurin-2-yl)thio]acetamide Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O2S/c1-8-3-4-10(5-9(8)2)18-11(21)6-23-15-19-13-12(14(22)20-15)16-7-17-13/h3-5,7H,6H2,1-2H3,(H,18,21)(H2,16,17,19,20,22)