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

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylbutanoate CAS Name: 2-[(3-methyl-2,6-dioxo-7-propyl-8-purinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylbutanoate Traditional Name: 2-[(2,6-diketo-3-methyl-7-propyl-purin-8-yl)thio]butyric acid ethyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SC(CC)C(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H22N4O4S/c1-5-8-19-10-11(18(4)14(22)17-12(10)20)16-15(19)24-9(6-2)13(21)23-7-3/h9H,5-8H2,1-4H3,(H,17,20,22)