6-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]pyrimidin-4-olate Formula: C20H17ClN3O2S- MolecularWeight: 398.88588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-])Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-13-7-8-15(9-17(13)21)22-18(25)10-16-11-19(26)24-20(23-16)27-12-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,22,25)(H,23,24,26)/p-1