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

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(7-isopropyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3-methyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetate Traditional Name: 2-[(7-isopropyl-2,6-diketo-3-methyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H18N4O4S/c1-5-21-8(18)6-22-13-14-10-9(17(13)7(2)3)11(19)15-12(20)16(10)4/h7H,5-6H2,1-4H3,(H,15,19,20)