3-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]pteridin-4-one

Systemtic Name: 3-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]pteridin-4-one CAS Name: 3-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)methylthio]-4-pteridinone IUPAC Name: 3-[(2-chlorophenyl)methyl]-2-[(2,4-dimethylphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-(2-chlorobenzyl)-2-[(2,4-dimethylbenzyl)thio]pteridin-4-one Formula: C22H19ClN4OS MolecularWeight: 422.93046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H19ClN4OS/c1-14-7-8-17(15(2)11-14)13-29-22-26-20-19(24-9-10-25-20)21(28)27(22)12-16-5-3-4-6-18(16)23/h3-11H,12-13H2,1-2H3