2-(2-methylsulfanyl-4-oxidanylidene-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl ethanoate

Systemtic Name: 2-(2-methylsulfanyl-4-oxidanylidene-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl ethanoate Openeye Name: 2-(2-methylsulfanyl-4-oxo-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl acetate CAS Name: acetic acid 2-[2-(methylthio)-4-oxo-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl ester IUPAC Name: 2-(2-methylsulfanyl-4-oxo-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl acetate Traditional Name: acetic acid 2-[4-keto-2-(methylthio)-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-5-yl]ethyl ester Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=CNC2C1C(=O)NC(=N2)SC

Isomeric SMILES

CC(=O)OCCC1=CNC2C1C(=O)NC(=N2)SC

InChI

InChI=1S/C11H15N3O3S/c1-6(15)17-4-3-7-5-12-9-8(7)10(16)14-11(13-9)18-2/h5,8-9,12H,3-4H2,1-2H3,(H,13,14,16)