N-cyclohexyl-2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]phenoxy]ethanamide

Systemtic Name: N-cyclohexyl-2-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]phenoxy]ethanamide Openeye Name: N-cyclohexyl-2-[4-(1,3-dimethyl-2,6-dioxo-purin-3-ium-8-yl)phenoxy]acetamide CAS Name: N-cyclohexyl-2-[4-(1,3-dimethyl-2,6-dioxo-8-purin-3-iumyl)phenoxy]acetamide IUPAC Name: N-cyclohexyl-2-[4-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)phenoxy]acetamide Traditional Name: N-cyclohexyl-2-[4-(2,6-diketo-1,3-dimethyl-purin-3-ium-8-yl)phenoxy]acetamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=C(C=C3)OCC(=O)NC4CCCCC4

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)C3=CC=C(C=C3)OCC(=O)NC4CCCCC4

InChI

InChI=1S/C21H23N5O4/c1-25-19-17(20(28)26(2)21(25)29)23-18(24-19)13-8-10-15(11-9-13)30-12-16(27)22-14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3/p+1