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

Systemtic Name: cyclohexyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]acetic acid cyclohexyl ester Formula: C18H26N4O4S MolecularWeight: 394.48844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)OC3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)OC3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H26N4O4S/c1-4-10-22-14-15(20(2)18(25)21(3)16(14)24)19-17(22)27-11-13(23)26-12-8-6-5-7-9-12/h12H,4-11H2,1-3H3