2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[(4-aminophenyl)methylthio]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-aminobenzyl)thio]-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-4-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=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)