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

Systemtic Name: cyclohexyl 2-[1-ethyl-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-(1-ethyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(1-ethyl-3,7-dimethyl-2,6-dioxo-8-purinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(1-ethyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(1-ethyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]acetic acid cyclohexyl ester Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)OC3CCCCC3)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)OC3CCCCC3)N(C1=O)C

InChI

InChI=1S/C17H24N4O4S/c1-4-21-15(23)13-14(20(3)17(21)24)18-16(19(13)2)26-10-12(22)25-11-8-6-5-7-9-11/h11H,4-10H2,1-3H3