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

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-olate Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5-(p-tolylmethyl)pyrimidin-4-olate CAS Name: 2-[(4-aminophenyl)methylthio]-6-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinolate IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-olate Traditional Name: 2-[(4-aminobenzyl)thio]-6-methyl-5-(4-methylbenzyl)pyrimidin-4-olate Formula: C20H20N3OS- MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2[O-])SCC3=CC=C(C=C3)N)C

InChI

InChI=1S/C20H21N3OS/c1-13-3-5-15(6-4-13)11-18-14(2)22-20(23-19(18)24)25-12-16-7-9-17(21)10-8-16/h3-10H,11-12,21H2,1-2H3,(H,22,23,24)/p-1