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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-3-(phenylmethyl)pteridin-4-one Openeye Name: 3-benzyl-2-(p-tolylmethylsulfanyl)pteridin-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-3-(phenylmethyl)-4-pteridinone IUPAC Name: 3-benzyl-2-[(4-methylphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-benzyl-2-[(4-methylbenzyl)thio]pteridin-4-one Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS/c1-15-7-9-17(10-8-15)14-27-21-24-19-18(22-11-12-23-19)20(26)25(21)13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3