2-[(3-methylphenyl)methylsulfanyl]-8H-pteridin-7-one

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-8H-pteridin-7-one Openeye Name: 2-(m-tolylmethylsulfanyl)-8H-pteridin-7-one CAS Name: 2-[(3-methylphenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 2-[(3-methylbenzyl)thio]-8H-pteridin-7-one Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C3C(=N2)NC(=O)C=N3

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C3C(=N2)NC(=O)C=N3

InChI

InChI=1S/C14H12N4OS/c1-9-3-2-4-10(5-9)8-20-14-16-6-11-13(18-14)17-12(19)7-15-11/h2-7H,8H2,1H3,(H,16,17,18,19)