2-[(3-aminophenyl)methylsulfanyl]-3,5-dihydropurin-6-one

Systemtic Name: 2-[(3-aminophenyl)methylsulfanyl]-3,5-dihydropurin-6-one Openeye Name: 2-[(3-aminophenyl)methylsulfanyl]-3,5-dihydropurin-6-one CAS Name: 2-[(3-aminophenyl)methylthio]-3,5-dihydropurin-6-one IUPAC Name: 2-[(3-aminophenyl)methylsulfanyl]-3,5-dihydropurin-6-one Traditional Name: 2-[(3-aminobenzyl)thio]-3,5-dihydropurin-6-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CSC2=NC(=O)C3C(=NC=N3)N2

Isomeric SMILES

C1=CC(=CC(=C1)N)CSC2=NC(=O)C3C(=NC=N3)N2

InChI

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