2-[(phenylmethylsulfanyl)methyl]-1H-pteridin-4-one

Systemtic Name: 2-[(phenylmethylsulfanyl)methyl]-1H-pteridin-4-one Openeye Name: 2-(benzylsulfanylmethyl)-1H-pteridin-4-one CAS Name: 2-[(phenylmethylthio)methyl]-1H-pteridin-4-one IUPAC Name: 2-(benzylsulfanylmethyl)-1H-pteridin-4-one Traditional Name: 2-[(benzylthio)methyl]-1H-pteridin-4-one Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NC(=O)C3=NC=CN=C3N2

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NC(=O)C3=NC=CN=C3N2

InChI

InChI=1S/C14H12N4OS/c19-14-12-13(16-7-6-15-12)17-11(18-14)9-20-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,17,18,19)