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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2CC)NC=NC3=O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(N2CC)NC=NC3=O

InChI

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