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

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(2-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-(2-bromo-4-methylphenyl)acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C14H13BrN6O2S MolecularWeight: 409.26102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN6O2S/c1-6-2-3-8(7(15)4-6)17-9(22)5-24-14-18-10-11(20-14)19-13(16)21-12(10)23/h2-4H,5H2,1H3,(H,17,22)(H4,16,18,19,20,21,23)