6-chloranyl-2-(phenylmethylsulfanyl)-7,9-dihydropurin-8-one

Systemtic Name: 6-chloranyl-2-(phenylmethylsulfanyl)-7,9-dihydropurin-8-one Openeye Name: 2-benzylsulfanyl-6-chloro-7,9-dihydropurin-8-one CAS Name: 6-chloro-2-(phenylmethylthio)-7,9-dihydropurin-8-one IUPAC Name: 2-benzylsulfanyl-6-chloro-7,9-dihydropurin-8-one Traditional Name: 2-(benzylthio)-6-chloro-7,9-dihydropurin-8-one Formula: C12H9ClN4OS MolecularWeight: 292.74406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)NC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=N2)Cl)NC(=O)N3

InChI

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