2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H26N3O2S- MolecularWeight: 348.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C(=O)NCCC2=CCCCC2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C(=O)NCCC2=CCCCC2)[O-]

InChI

InChI=1S/C18H27N3O2S/c1-3-7-15-12-16(22)21-18(20-15)24-13(2)17(23)19-11-10-14-8-5-4-6-9-14/h8,12-13H,3-7,9-11H2,1-2H3,(H,19,23)(H,20,21,22)/p-1/t13-/m1/s1