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

Systemtic Name: ethyl 2-[7-(cyclohexylmethyl)-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-[7-(cyclohexylmethyl)-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylbutanoate CAS Name: 2-[[7-(cyclohexylmethyl)-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[7-(cyclohexylmethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylbutanoate Traditional Name: 2-[[7-(cyclohexylmethyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]butyric acid ethyl ester Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(N1CC3CCCCC3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(N1CC3CCCCC3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H30N4O4S/c1-5-14(18(26)28-6-2)29-19-21-16-15(17(25)23(4)20(27)22(16)3)24(19)12-13-10-8-7-9-11-13/h13-14H,5-12H2,1-4H3