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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC(=O)NC3=C2NC=N3

InChI

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