6-[(Z)-2-methylsulfanyl-2-phenyl-ethenyl]-7H-purine

Systemtic Name: 6-[(Z)-2-methylsulfanyl-2-phenyl-ethenyl]-7H-purine Openeye Name: 6-[(Z)-2-methylsulfanyl-2-phenyl-vinyl]-7H-purine CAS Name: 6-[(Z)-2-(methylthio)-2-phenylethenyl]-7H-purine IUPAC Name: 6-[(Z)-2-methylsulfanyl-2-phenylethenyl]-7H-purine Traditional Name: 6-[(Z)-2-(methylthio)-2-phenyl-vinyl]-7H-purine Formula: C14H12N4S MolecularWeight: 268.33688

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC1=C2C(=NC=N1)N=CN2)C3=CC=CC=C3

Isomeric SMILES

CS/C(=C\C1=C2C(=NC=N1)N=CN2)/C3=CC=CC=C3

InChI

InChI=1S/C14H12N4S/c1-19-12(10-5-3-2-4-6-10)7-11-13-14(17-8-15-11)18-9-16-13/h2-9H,1H3,(H,15,16,17,18)/b12-7-