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

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylpropanoate Openeye Name: ethyl 2-(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylpropanoate CAS Name: 2-[(3-methyl-2,6-dioxo-7-propyl-8-purinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylpropanoate Traditional Name: 2-[(2,6-diketo-3-methyl-7-propyl-purin-8-yl)thio]propionic acid ethyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SC(C)C(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SC(C)C(=O)OCC)N(C(=O)NC2=O)C

InChI

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