N-(5-chloranyl-2-methoxy-phenyl)-2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(3,7-dibutyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(3,7-dibutyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(3,7-dibutyl-2,6-diketo-purin-1-yl)acetamide Formula: C22H28ClN5O4 MolecularWeight: 461.94182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C22H28ClN5O4/c1-4-6-10-26-14-24-20-19(26)21(30)28(22(31)27(20)11-7-5-2)13-18(29)25-16-12-15(23)8-9-17(16)32-3/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,25,29)