2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(p-tolylmethyl)pteridin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-[(4-methylphenyl)methyl]-4-pteridinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-[(4-methylphenyl)methyl]pteridin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-methylbenzyl)pteridin-4-one Formula: C21H16ClFN4OS MolecularWeight: 426.894343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H16ClFN4OS/c1-13-5-7-14(8-6-13)11-27-20(28)18-19(25-10-9-24-18)26-21(27)29-12-15-16(22)3-2-4-17(15)23/h2-10H,11-12H2,1H3