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

Systemtic Name: methyl 2-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propylsulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C13H18N4O4S MolecularWeight: 326.37142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC(=O)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSCC(=O)OC

InChI

InChI=1S/C13H18N4O4S/c1-15-8-14-11-10(15)12(19)17(13(20)16(11)2)5-4-6-22-7-9(18)21-3/h8H,4-7H2,1-3H3