2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(3,4-dimethylphenyl)acetamide Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2)C(=O)N=C(N3)N)C

InChI

InChI=1S/C15H16N6O2S/c1-7-3-4-9(5-8(7)2)17-10(22)6-24-15-18-11-12(20-15)19-14(16)21-13(11)23/h3-5H,6H2,1-2H3,(H,17,22)(H4,16,18,19,20,21,23)