2-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C19H22N3O2S- MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)SC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S/c1-13(18(24)20-15-10-6-3-7-11-15)25-19-21-16(12-17(23)22-19)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H,20,24)(H,21,22,23)/p-1/t13-/m1/s1