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

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(4,6-diaminopyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(4,6-diaminopyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC(=CC(=N2)N)N)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC(=CC(=N2)N)N)C(C)C

InChI

InChI=1S/C16H26N4O2S/c1-9(2)11-5-4-10(3)6-12(11)22-15(21)8-23-16-19-13(17)7-14(18)20-16/h7,9-12H,4-6,8H2,1-3H3,(H4,17,18,19,20)