2-[(4-aminophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)methylthio]-5-[(4-chlorophenyl)methyl]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-5-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(4-aminobenzyl)thio]-5-(4-chlorobenzyl)-6-methyl-pyrimidin-4-olate Formula: C19H17ClN3OS- MolecularWeight: 370.87578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)N)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)N)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3OS/c1-12-17(10-13-2-6-15(20)7-3-13)18(24)23-19(22-12)25-11-14-4-8-16(21)9-5-14/h2-9H,10-11,21H2,1H3,(H,22,23,24)/p-1