9-(2,5-dimethylpyrrol-1-yl)-6-methylsulfanyl-purine

Systemtic Name: 9-(2,5-dimethylpyrrol-1-yl)-6-methylsulfanyl-purine Openeye Name: 9-(2,5-dimethylpyrrol-1-yl)-6-methylsulfanyl-purine CAS Name: 9-(2,5-dimethyl-1-pyrrolyl)-6-(methylthio)purine IUPAC Name: 9-(2,5-dimethylpyrrol-1-yl)-6-methylsulfanylpurine Traditional Name: 9-(2,5-dimethylpyrrol-1-yl)-6-(methylthio)purine Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1N2C=NC3=C2N=CN=C3SC)C

Isomeric SMILES

CC1=CC=C(N1N2C=NC3=C2N=CN=C3SC)C

InChI

InChI=1S/C12H13N5S/c1-8-4-5-9(2)17(8)16-7-15-10-11(16)13-6-14-12(10)18-3/h4-7H,1-3H3