ethyl 2-[(5-aminocarbonyl-6-ethylsulfanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-aminocarbonyl-6-ethylsulfanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-carbamoyl-6-ethylsulfanyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[[5-carbamoyl-6-(ethylthio)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-carbamoyl-6-ethylsulfanyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[[5-carbamoyl-6-(ethylthio)-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C13H16N4O4S2 MolecularWeight: 356.42054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=C(N1)NC(=C2C(=O)N)SCC

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=C(N1)NC(=C2C(=O)N)SCC

InChI

InChI=1S/C13H16N4O4S2/c1-3-21-6(18)5-23-13-16-10-8(11(20)17-13)7(9(14)19)12(15-10)22-4-2/h3-5H2,1-2H3,(H2,14,19)(H2,15,16,17,20)