2-[7-decyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: 2-[7-decyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-(7-decyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-decyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetate IUPAC Name: 2-(7-decyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-decyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetate Formula: C19H29N4O4S- MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H30N4O4S/c1-4-5-6-7-8-9-10-11-12-23-15-16(20-18(23)28-13-14(24)25)21(2)19(27)22(3)17(15)26/h4-13H2,1-3H3,(H,24,25)/p-1