2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[2-(phenylthio)ethyl]acetamide Formula: C17H18ClN5O3S MolecularWeight: 407.87452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C17H18ClN5O3S/c1-21-14-13(15(25)22(2)17(21)26)23(16(18)20-14)10-12(24)19-8-9-27-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,19,24)