2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(o-tolyl)acetamide Formula: C14H14N6O2S MolecularWeight: 330.36496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N

InChI

InChI=1S/C14H14N6O2S/c1-7-4-2-3-5-8(7)16-9(21)6-23-14-17-10-11(19-14)18-13(15)20-12(10)22/h2-5H,6H2,1H3,(H,16,21)(H4,15,17,18,19,20,22)