2-[(4-hydroxyphenyl)methylsulfanyl]-8H-pteridin-7-one

Systemtic Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-8H-pteridin-7-one Openeye Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-8H-pteridin-7-one CAS Name: 2-[(4-hydroxyphenyl)methylthio]-8H-pteridin-7-one IUPAC Name: 2-[(4-hydroxyphenyl)methylsulfanyl]-8H-pteridin-7-one Traditional Name: 2-[(4-hydroxybenzyl)thio]-8H-pteridin-7-one Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C3C(=N2)NC(=O)C=N3)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C3C(=N2)NC(=O)C=N3)O

InChI

InChI=1S/C13H10N4O2S/c18-9-3-1-8(2-4-9)7-20-13-15-5-10-12(17-13)16-11(19)6-14-10/h1-6,18H,7H2,(H,15,16,17,19)