2,8-bis(phenylmethylsulfanyl)-3,5-dihydropurin-6-one

Systemtic Name: 2,8-bis(phenylmethylsulfanyl)-3,5-dihydropurin-6-one Openeye Name: 2,8-bis(benzylsulfanyl)-3,5-dihydropurin-6-one CAS Name: 2,8-bis(phenylmethylthio)-3,5-dihydropurin-6-one IUPAC Name: 2,8-bis(benzylsulfanyl)-3,5-dihydropurin-6-one Traditional Name: 2,8-bis(benzylthio)-3,5-dihydropurin-6-one Formula: C19H16N4OS2 MolecularWeight: 380.48654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C3C(=NC(=N3)SCC4=CC=CC=C4)N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C3C(=NC(=N3)SCC4=CC=CC=C4)N2

InChI

InChI=1S/C19H16N4OS2/c24-17-15-16(21-18(20-15)25-11-13-7-3-1-4-8-13)22-19(23-17)26-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,20,21,22,23,24)