cyclohexyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(4,6-diaminopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]acetic acid cyclohexyl ester Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H18N4O2S/c13-9-6-10(14)16-12(15-9)19-7-11(17)18-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,13,14,15,16)