3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]pteridin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-(p-tolylmethyl)-2-(p-tolylmethylsulfanyl)pteridin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylthio]-4-pteridinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-(4-methylbenzyl)-2-[(4-methylbenzyl)thio]pteridin-4-one Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=CC=C(C=C4)C

InChI

InChI=1S/C22H20N4OS/c1-15-3-7-17(8-4-15)13-26-21(27)19-20(24-12-11-23-19)25-22(26)28-14-18-9-5-16(2)6-10-18/h3-12H,13-14H2,1-2H3