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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3,7-dihydropurin-6-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3,7-dihydropurin-6-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3,7-dihydropurin-6-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3,7-dihydropurin-6-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3,7-dihydropurin-6-one Formula: C12H9ClN4OS MolecularWeight: 292.74406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN4OS/c13-8-3-1-2-7(4-8)5-19-12-16-10-9(11(18)17-12)14-6-15-10/h1-4,6H,5H2,(H2,14,15,16,17,18)