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

Systemtic Name: methyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylpropanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-5-7-18-10-11(16(2)14(21)17(3)12(10)20)15-13(18)23-8-6-9(19)22-4/h5-8H2,1-4H3