1-phenyl-3-purin-7-ylsulfanyl-propan-1-one

Systemtic Name: 1-phenyl-3-purin-7-ylsulfanyl-propan-1-one Openeye Name: 1-phenyl-3-purin-7-ylsulfanyl-propan-1-one CAS Name: 1-phenyl-3-(7-purinylthio)-1-propanone IUPAC Name: 1-phenyl-3-purin-7-ylsulfanylpropan-1-one Traditional Name: 1-phenyl-3-(purin-7-ylthio)propan-1-one Formula: C14H12N4OS MolecularWeight: 284.33628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCSN2C=NC3=NC=NC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCSN2C=NC3=NC=NC=C32

InChI

InChI=1S/C14H12N4OS/c19-13(11-4-2-1-3-5-11)6-7-20-18-10-17-14-12(18)8-15-9-16-14/h1-5,8-10H,6-7H2