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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H22N4O4S/c1-6-9(13(21)23-7-2)24-15-16-11-10(19(15)8(3)4)12(20)17-14(22)18(11)5/h8-9H,6-7H2,1-5H3,(H,17,20,22)