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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propoxy-(6-methylsulfonylimino-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propoxy-(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propoxy-(6-mesyliminocyclohexa-2,4-dien-1-ylidene)methanolate Formula: C18H20N5O6S- MolecularWeight: 434.4463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=C3C=CC=CC3=NS(=O)(=O)C)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=C3C=CC=CC3=NS(=O)(=O)C)[O-]

InChI

InChI=1S/C18H21N5O6S/c1-21-11-19-15-14(21)16(24)23(18(26)22(15)2)9-6-10-29-17(25)12-7-4-5-8-13(12)20-30(3,27)28/h4-5,7-8,11,25H,6,9-10H2,1-3H3/p-1