N-(5-chloranyl-2-methyl-phenyl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C18H20ClN5O3S MolecularWeight: 421.9011

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20ClN5O3S/c1-5-24-14-15(22(3)18(27)23(4)16(14)26)21-17(24)28-9-13(25)20-12-8-11(19)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H,20,25)