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

Systemtic Name: ethyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylpropanoate Openeye Name: ethyl 3-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylpropanoate CAS Name: 3-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]propionic acid ethyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCCC(=O)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCCC(=O)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H22N4O4S/c1-5-8-19-11-12(17(3)15(22)18(4)13(11)21)16-14(19)24-9-7-10(20)23-6-2/h5-9H2,1-4H3