ethyl 3-(2-azanylpyrimidin-5-yl)-2-(ethanoylsulfanylmethyl)pentanoate

Systemtic Name: ethyl 3-(2-azanylpyrimidin-5-yl)-2-(ethanoylsulfanylmethyl)pentanoate Openeye Name: ethyl 2-(acetylsulfanylmethyl)-3-(2-aminopyrimidin-5-yl)pentanoate CAS Name: 2-[(acetylthio)methyl]-3-(2-amino-5-pyrimidinyl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-(acetylsulfanylmethyl)-3-(2-aminopyrimidin-5-yl)pentanoate Traditional Name: 2-[(acetylthio)methyl]-3-(2-aminopyrimidin-5-yl)valeric acid ethyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN=C(N=C1)N)C(CSC(=O)C)C(=O)OCC

Isomeric SMILES

CCC(C1=CN=C(N=C1)N)C(CSC(=O)C)C(=O)OCC

InChI

InChI=1S/C14H21N3O3S/c1-4-11(10-6-16-14(15)17-7-10)12(8-21-9(3)18)13(19)20-5-2/h6-7,11-12H,4-5,8H2,1-3H3,(H2,15,16,17)