6-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]pyrimidin-4-olate Formula: C20H17ClN3O2S- MolecularWeight: 398.88588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O2S/c21-16-8-6-14(7-9-16)12-22-18(25)10-17-11-19(26)24-20(23-17)27-13-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,22,25)(H,23,24,26)/p-1