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

Systemtic Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H13ClN3O2S- MolecularWeight: 322.78992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCC2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C14H14ClN3O2S/c1-9-6-12(19)18-14(17-9)21-8-13(20)16-7-10-2-4-11(15)5-3-10/h2-6H,7-8H2,1H3,(H,16,20)(H,17,18,19)/p-1