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

Systemtic Name: 2-[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-(7-heptyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-heptyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetate IUPAC Name: 2-(7-heptyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-heptyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetate Formula: C16H23N4O4S- MolecularWeight: 367.44322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H24N4O4S/c1-4-5-6-7-8-9-20-12-13(17-15(20)25-10-11(21)22)18(2)16(24)19(3)14(12)23/h4-10H2,1-3H3,(H,21,22)/p-1