ethyl 2-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propylsulfanyl]ethanoate Openeye Name: ethyl 2-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propylsulfanyl]acetate CAS Name: 2-[3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propylsulfanyl]acetate Traditional Name: 2-[3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propylthio]acetic acid ethyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CSCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C14H20N4O4S/c1-4-22-10(19)8-23-7-5-6-18-13(20)11-12(15-9-16(11)2)17(3)14(18)21/h9H,4-8H2,1-3H3