ethyl 1-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]ethylsulfanylmethanoate

Systemtic Name: ethyl 1-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]ethylsulfanylmethanoate Openeye Name: ethyl 1-(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)ethylsulfanylformate CAS Name: [1-(3-methyl-2,6-dioxo-7-propyl-8-purinyl)ethylthio]formic acid ethyl ester IUPAC Name: ethyl 1-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)ethylsulfanylformate Traditional Name: [1-(2,6-diketo-3-methyl-7-propyl-purin-8-yl)ethylthio]formic acid ethyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C(C)SC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1C(C)SC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O4S/c1-5-7-18-9-11(17(4)13(20)16-12(9)19)15-10(18)8(3)23-14(21)22-6-2/h8H,5-7H2,1-4H3,(H,16,19,20)