3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-pteridin-4-one

Systemtic Name: 3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-pteridin-4-one Openeye Name: 3-[(2-chlorophenyl)methyl]-2-thioxo-1H-pteridin-4-one CAS Name: 3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-pteridin-4-one IUPAC Name: 3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-pteridin-4-one Traditional Name: 3-(2-chlorobenzyl)-2-thioxo-1H-pteridin-4-one Formula: C13H9ClN4OS MolecularWeight: 304.75476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN4OS/c14-9-4-2-1-3-8(9)7-18-12(19)10-11(17-13(18)20)16-6-5-15-10/h1-6H,7H2,(H,16,17,20)