8-(4-bromophenyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one

Systemtic Name: 8-(4-bromophenyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one Openeye Name: 8-(4-bromophenyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one CAS Name: 8-(4-bromophenyl)-6-(methylthio)-3-propyl-7H-purin-2-one IUPAC Name: 8-(4-bromophenyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one Traditional Name: 8-(4-bromophenyl)-6-(methylthio)-3-propyl-7H-purin-2-one Formula: C15H15BrN4OS MolecularWeight: 379.2748

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H15BrN4OS/c1-3-8-20-13-11(14(22-2)19-15(20)21)17-12(18-13)9-4-6-10(16)7-5-9/h4-7H,3,8H2,1-2H3,(H,17,18)