methyl 2-[5-[3-azanyl-2,3-bis(oxidanylidene)propyl]-6-ethyl-7-[(3-fluorophenyl)methyl]-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-4-yl]oxyethanoate

Systemtic Name: methyl 2-[5-[3-azanyl-2,3-bis(oxidanylidene)propyl]-6-ethyl-7-[(3-fluorophenyl)methyl]-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-4-yl]oxyethanoate Openeye Name: methyl 2-[5-(3-amino-2,3-dioxo-propyl)-6-ethyl-7-[(3-fluorophenyl)methyl]-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-4-yl]oxyacetate CAS Name: 2-[[5-(3-amino-2,3-dioxopropyl)-6-ethyl-7-[(3-fluorophenyl)methyl]-2-(methylthio)-4-pyrrolo[2,3-d]pyrimidinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-(3-amino-2,3-dioxopropyl)-6-ethyl-7-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-yl]oxyacetate Traditional Name: 2-[5-(3-amino-2,3-diketo-propyl)-6-ethyl-7-(3-fluorobenzyl)-2-(methylthio)pyrrolo[2,3-d]pyrimidin-4-yl]oxyacetic acid methyl ester Formula: C22H23FN4O5S MolecularWeight: 474.505223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC(=CC=C3)F)N=C(N=C2OCC(=O)OC)SC)CC(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC(=CC=C3)F)N=C(N=C2OCC(=O)OC)SC)CC(=O)C(=O)N

InChI

InChI=1S/C22H23FN4O5S/c1-4-15-14(9-16(28)19(24)30)18-20(27(15)10-12-6-5-7-13(23)8-12)25-22(33-3)26-21(18)32-11-17(29)31-2/h5-8H,4,9-11H2,1-3H3,(H2,24,30)