2-[(4-chlorophenyl)methylsulfanyl]-7,9-dihydropurin-8-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-7,9-dihydropurin-8-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-7,9-dihydropurin-8-one CAS Name: 2-[(4-chlorophenyl)methylthio]-7,9-dihydropurin-8-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-7,9-dihydropurin-8-one Traditional Name: 2-[(4-chlorobenzyl)thio]-7,9-dihydropurin-8-one Formula: C12H9ClN4OS MolecularWeight: 292.74406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C3C(=N2)NC(=O)N3)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C3C(=N2)NC(=O)N3)Cl

InChI

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