2-azanyl-1-(phenylmethylsulfanyl)-7H-purin-6-one

Systemtic Name: 2-azanyl-1-(phenylmethylsulfanyl)-7H-purin-6-one Openeye Name: 2-amino-1-benzylsulfanyl-7H-purin-6-one CAS Name: 2-amino-1-(phenylmethylthio)-7H-purin-6-one IUPAC Name: 2-amino-1-benzylsulfanyl-7H-purin-6-one Traditional Name: 2-amino-1-(benzylthio)-7H-purin-6-one Formula: C12H11N5OS MolecularWeight: 273.31364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSN2C(=O)C3=C(N=CN3)N=C2N

Isomeric SMILES

C1=CC=C(C=C1)CSN2C(=O)C3=C(N=CN3)N=C2N

InChI

InChI=1S/C12H11N5OS/c13-12-16-10-9(14-7-15-10)11(18)17(12)19-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,16)(H,14,15)