5-[4-[2,3-bis(oxidanyl)propyl]-3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2-chloranyl-N-[(1-oxidanylcyclohexyl)methyl]benzamide

Systemtic Name: 5-[4-[2,3-bis(oxidanyl)propyl]-3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2-chloranyl-N-[(1-oxidanylcyclohexyl)methyl]benzamide Openeye Name: 2-chloro-5-[4-(2,3-dihydroxypropyl)-3,5-dioxo-1,2,4-triazin-2-yl]-N-[(1-hydroxycyclohexyl)methyl]benzamide CAS Name: 2-chloro-5-[4-(2,3-dihydroxypropyl)-3,5-dioxo-1,2,4-triazin-2-yl]-N-[(1-hydroxycyclohexyl)methyl]benzamide IUPAC Name: 2-chloro-5-[4-(2,3-dihydroxypropyl)-3,5-dioxo-1,2,4-triazin-2-yl]-N-[(1-hydroxycyclohexyl)methyl]benzamide Traditional Name: 2-chloro-5-(4-glyceryl-3,5-diketo-1,2,4-triazin-2-yl)-N-[(1-hydroxycyclohexyl)methyl]benzamide Formula: C20H25ClN4O6 MolecularWeight: 452.8887

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2)N3C(=O)N(C(=O)C=N3)CC(CO)O)Cl)O

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=C(C=CC(=C2)N3C(=O)N(C(=O)C=N3)CC(CO)O)Cl)O

InChI

InChI=1S/C20H25ClN4O6/c21-16-5-4-13(25-19(30)24(10-14(27)11-26)17(28)9-23-25)8-15(16)18(29)22-12-20(31)6-2-1-3-7-20/h4-5,8-9,14,26-27,31H,1-3,6-7,10-12H2,(H,22,29)