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

Systemtic Name: N-(4-methylphenyl)-2-[(2-oxidanylidene-3,7-dihydropurin-6-yl)sulfanyl]ethanamide Openeye Name: 2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[(2-oxo-3,7-dihydropurin-6-yl)thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]acetamide Traditional Name: 2-[(2-keto-3,7-dihydropurin-6-yl)thio]-N-(p-tolyl)acetamide Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC3=C2NC=N3

InChI

InChI=1S/C14H13N5O2S/c1-8-2-4-9(5-3-8)17-10(20)6-22-13-11-12(16-7-15-11)18-14(21)19-13/h2-5,7H,6H2,1H3,(H,17,20)(H2,15,16,18,19,21)