N-cyclohexyl-4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclohexyl-4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]benzamide Openeye Name: N-cyclohexyl-4-[[2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]amino]benzamide CAS Name: N-cyclohexyl-4-[[2-(1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclohexyl-4-[[2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]amino]benzamide Traditional Name: N-cyclohexyl-4-[[2-(2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]amino]benzamide Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)NC3=CC=C(C=C3)C(=O)NC4CCCCC4

InChI

InChI=1S/C22H26N6O4/c1-26-20-18(21(31)27(2)22(26)32)23-13-28(20)12-17(29)24-16-10-8-14(9-11-16)19(30)25-15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,24,29)(H,25,30)