cyclohexyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetic acid cyclohexyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H16N4O2S/c14-6-9-7-16-13(17-12(9)15)20-8-11(18)19-10-4-2-1-3-5-10/h7,10H,1-5,8H2,(H2,15,16,17)