N-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]sulfanylethyl]-2-methoxy-benzamide

Systemtic Name: N-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-3-ium-8-yl]sulfanylethyl]-2-methoxy-benzamide Openeye Name: N-[2-(1,3-dimethyl-2,6-dioxo-purin-3-ium-8-yl)sulfanylethyl]-2-methoxy-benzamide CAS Name: N-[2-[(1,3-dimethyl-2,6-dioxo-8-purin-3-iumyl)thio]ethyl]-2-methoxybenzamide IUPAC Name: N-[2-(1,3-dimethyl-2,6-dioxopurin-3-ium-8-yl)sulfanylethyl]-2-methoxybenzamide Traditional Name: N-[2-[(2,6-diketo-1,3-dimethyl-purin-3-ium-8-yl)thio]ethyl]-2-methoxy-benzamide Formula: C17H18N5O4S+ MolecularWeight: 388.42092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)SCCNC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)SCCNC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C17H17N5O4S/c1-21-13-12(15(24)22(2)17(21)25)19-16(20-13)27-9-8-18-14(23)10-6-4-5-7-11(10)26-3/h4-7H,8-9H2,1-3H3/p+1