4-azanyl-2-(phenylmethylsulfanyl)-8H-pteridin-7-one

Systemtic Name: 4-azanyl-2-(phenylmethylsulfanyl)-8H-pteridin-7-one Openeye Name: 4-amino-2-benzylsulfanyl-8H-pteridin-7-one CAS Name: 4-amino-2-(phenylmethylthio)-8H-pteridin-7-one IUPAC Name: 4-amino-2-benzylsulfanyl-8H-pteridin-7-one Traditional Name: 4-amino-2-(benzylthio)-8H-pteridin-7-one Formula: C13H11N5OS MolecularWeight: 285.32434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N)N=CC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)N)N=CC(=O)N3

InChI

InChI=1S/C13H11N5OS/c14-11-10-12(16-9(19)6-15-10)18-13(17-11)20-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,14,16,17,18,19)