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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC3=C(C(=CC=C3)Cl)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)NC3=C(C(=CC=C3)Cl)C)N(C1=O)C

InChI

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