N-ethyl-2-[(9-ethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-ethyl-2-[(9-ethyl-6-oxidanylidene-3H-purin-8-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-ethyl-2-[(9-ethyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-ethyl-2-[(9-ethyl-6-oxo-3H-purin-8-yl)thio]-N-phenylacetamide IUPAC Name: N-ethyl-2-[(9-ethyl-6-oxo-3H-purin-8-yl)sulfanyl]-N-phenylacetamide Traditional Name: N-ethyl-2-[(9-ethyl-6-keto-3H-purin-8-yl)thio]-N-phenyl-acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=CN2)N=C1SCC(=O)N(CC)C3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C(=O)N=CN2)N=C1SCC(=O)N(CC)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5O2S/c1-3-21(12-8-6-5-7-9-12)13(23)10-25-17-20-14-15(22(17)4-2)18-11-19-16(14)24/h5-9,11H,3-4,10H2,1-2H3,(H,18,19,24)