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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H20N4O4S/c1-6-22-12(20)8(4)23-14-15-10-9(18(14)7(2)3)11(19)16-13(21)17(10)5/h7-8H,6H2,1-5H3,(H,16,19,21)