8-[(3-aminophenyl)methylsulfanyl]-3,7-dihydropurin-6-one

Systemtic Name: 8-[(3-aminophenyl)methylsulfanyl]-3,7-dihydropurin-6-one Openeye Name: 8-[(3-aminophenyl)methylsulfanyl]-3,7-dihydropurin-6-one CAS Name: 8-[(3-aminophenyl)methylthio]-3,7-dihydropurin-6-one IUPAC Name: 8-[(3-aminophenyl)methylsulfanyl]-3,7-dihydropurin-6-one Traditional Name: 8-[(3-aminobenzyl)thio]-3,7-dihydropurin-6-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CSC2=NC3=C(N2)C(=O)N=CN3

Isomeric SMILES

C1=CC(=CC(=C1)N)CSC2=NC3=C(N2)C(=O)N=CN3

InChI

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