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

Systemtic Name: propyl 2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: propyl 2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetic acid propyl ester IUPAC Name: propyl 2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetic acid propyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCOC(=O)CSC1=NC2=C(N1CC)C(=O)N(C(=O)N2C)C

InChI

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