2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-phenethyl-acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H23N5O3S/c1-4-24-15-16(22(2)19(27)23(3)17(15)26)21-18(24)28-12-14(25)20-11-10-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3,(H,20,25)