2-chloranyl-5-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzamide

Systemtic Name: 2-chloranyl-5-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoylamino]benzamide Openeye Name: 2-chloro-5-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoylamino]benzamide CAS Name: 2-chloro-5-[[4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxobutyl]amino]benzamide IUPAC Name: 2-chloro-5-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoylamino]benzamide Traditional Name: 2-chloro-5-[4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butanoylamino]benzamide Formula: C18H19ClN6O4 MolecularWeight: 418.83426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C18H19ClN6O4/c1-23-16-14(17(28)24(2)18(23)29)25(9-21-16)7-3-4-13(26)22-10-5-6-12(19)11(8-10)15(20)27/h5-6,8-9H,3-4,7H2,1-2H3,(H2,20,27)(H,22,26)