2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(2-pyridylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-methyl-5-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-5-[2-keto-2-(2-pyridylmethylamino)ethyl]-6-methyl-pyrimidin-4-olate Formula: C20H18ClN4O2S- MolecularWeight: 413.90052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-])CC(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)Cl)[O-])CC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H19ClN4O2S/c1-13-17(10-18(26)23-11-16-7-2-3-8-22-16)19(27)25-20(24-13)28-12-14-5-4-6-15(21)9-14/h2-9H,10-12H2,1H3,(H,23,26)(H,24,25,27)/p-1