2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethoxy-(6-methylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethoxy-(6-mesyliminocyclohexa-2,4-dien-1-ylidene)methanolate Formula: C17H18N5O6S- MolecularWeight: 420.41972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=C3C=CC=CC3=NS(=O)(=O)C)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=C3C=CC=CC3=NS(=O)(=O)C)[O-]

InChI

InChI=1S/C17H19N5O6S/c1-20-14-13(15(23)21(2)17(20)25)22(10-18-14)8-9-28-16(24)11-6-4-5-7-12(11)19-29(3,26)27/h4-7,10,24H,8-9H2,1-3H3/p-1