2-[(2-aminophenyl)methylsulfanyl]-3,7-dihydropurin-6-one

Systemtic Name: 2-[(2-aminophenyl)methylsulfanyl]-3,7-dihydropurin-6-one Openeye Name: 2-[(2-aminophenyl)methylsulfanyl]-3,7-dihydropurin-6-one CAS Name: 2-[(2-aminophenyl)methylthio]-3,7-dihydropurin-6-one IUPAC Name: 2-[(2-aminophenyl)methylsulfanyl]-3,7-dihydropurin-6-one Traditional Name: 2-[(2-aminobenzyl)thio]-3,7-dihydropurin-6-one Formula: C12H11N5OS MolecularWeight: 273.31364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=O)C3=C(N2)N=CN3)N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)C3=C(N2)N=CN3)N

InChI

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