2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclohexylmethylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclohexylmethylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-(cyclohexylmethylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C20H23ClN3O2S- MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

C1CCC(CC1)CNC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C20H24ClN3O2S/c21-16-8-4-7-15(9-16)13-27-20-23-17(11-19(26)24-20)10-18(25)22-12-14-5-2-1-3-6-14/h4,7-9,11,14H,1-3,5-6,10,12-13H2,(H,22,25)(H,23,24,26)/p-1