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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-6-22-9(19)7-23-13-15-11-10(18(13)8(2)3)12(20)17(5)14(21)16(11)4/h8H,6-7H2,1-5H3