[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: [(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]acetic acid [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetic acid [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NC(=O)C=C(N2)N)C(C)C

InChI

InChI=1S/C16H25N3O3S/c1-9(2)11-5-4-10(3)6-12(11)22-15(21)8-23-16-18-13(17)7-14(20)19-16/h7,9-12H,4-6,8H2,1-3H3,(H3,17,18,19,20)/t10-,11-,12+/m1/s1