3-(phenylmethyl)-2-sulfanylidene-1H-pteridin-4-one

Systemtic Name: 3-(phenylmethyl)-2-sulfanylidene-1H-pteridin-4-one Openeye Name: 3-benzyl-2-thioxo-1H-pteridin-4-one CAS Name: 3-(phenylmethyl)-2-sulfanylidene-1H-pteridin-4-one IUPAC Name: 3-benzyl-2-sulfanylidene-1H-pteridin-4-one Traditional Name: 3-benzyl-2-thioxo-1H-pteridin-4-one Formula: C13H10N4OS MolecularWeight: 270.3097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3NC2=S

InChI

InChI=1S/C13H10N4OS/c18-12-10-11(15-7-6-14-10)16-13(19)17(12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16,19)