2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyl-7H-purin-6-one

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyl-7H-purin-6-one Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyl-7H-purin-6-one CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-phenyl-7H-purin-6-one IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1-phenyl-7H-purin-6-one Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1-phenyl-7H-purin-6-one Formula: C19H13ClN4O3S MolecularWeight: 412.84952

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC=N4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)NC=N4)Cl

InChI

InChI=1S/C19H13ClN4O3S/c20-13-7-15-14(26-10-27-15)6-11(13)8-28-19-23-17-16(21-9-22-17)18(25)24(19)12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,21,22)