2-[(4-ethenylphenyl)methylsulfanyl]-3,7-dihydropurin-6-one

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3,7-dihydropurin-6-one Openeye Name: 2-[(4-vinylphenyl)methylsulfanyl]-3,7-dihydropurin-6-one CAS Name: 2-[(4-ethenylphenyl)methylthio]-3,7-dihydropurin-6-one IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3,7-dihydropurin-6-one Traditional Name: 2-[(4-vinylbenzyl)thio]-3,7-dihydropurin-6-one Formula: C14H12N4OS MolecularWeight: 284.33628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

C=CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C14H12N4OS/c1-2-9-3-5-10(6-4-9)7-20-14-17-12-11(13(19)18-14)15-8-16-12/h2-6,8H,1,7H2,(H2,15,16,17,18,19)