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

Systemtic Name: ethyl 3-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylpropanoate Openeye Name: ethyl 3-(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylpropanoate CAS Name: 3-[(3-methyl-2,6-dioxo-7-propyl-8-purinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(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=C1SCCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCCC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H20N4O4S/c1-4-7-18-10-11(17(3)13(21)16-12(10)20)15-14(18)23-8-6-9(19)22-5-2/h4-8H2,1-3H3,(H,16,20,21)