3-phenethyl-2-sulfanylidene-1H-pteridin-4-one

Systemtic Name: 3-phenethyl-2-sulfanylidene-1H-pteridin-4-one Openeye Name: 3-phenethyl-2-thioxo-1H-pteridin-4-one CAS Name: 3-phenethyl-2-sulfanylidene-1H-pteridin-4-one IUPAC Name: 3-phenethyl-2-sulfanylidene-1H-pteridin-4-one Traditional Name: 3-phenethyl-2-thioxo-1H-pteridin-4-one Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3NC2=S

InChI

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