N-(3-chlorophenyl)-2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide

Systemtic Name: N-(3-chlorophenyl)-2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-(3-chlorophenyl)-2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(3-chlorophenyl)-2-(3,7-dibutyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(3-chlorophenyl)-2-(3,7-dibutyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(3-chlorophenyl)-2-(3,7-dibutyl-2,6-diketo-purin-1-yl)acetamide Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O3/c1-3-5-10-25-14-23-19-18(25)20(29)27(21(30)26(19)11-6-4-2)13-17(28)24-16-9-7-8-15(22)12-16/h7-9,12,14H,3-6,10-11,13H2,1-2H3,(H,24,28)