8-[(4-nitrophenyl)methylsulfanyl]-5,9-dihydropurin-6-one

Systemtic Name: 8-[(4-nitrophenyl)methylsulfanyl]-5,9-dihydropurin-6-one Openeye Name: 8-[(4-nitrophenyl)methylsulfanyl]-5,9-dihydropurin-6-one CAS Name: 8-[(4-nitrophenyl)methylthio]-5,9-dihydropurin-6-one IUPAC Name: 8-[(4-nitrophenyl)methylsulfanyl]-5,9-dihydropurin-6-one Traditional Name: 8-[(4-nitrobenzyl)thio]-5,9-dihydropurin-6-one Formula: C12H9N5O3S MolecularWeight: 303.29656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3C(=NC=NC3=O)N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3C(=NC=NC3=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3S/c18-11-9-10(13-6-14-11)16-12(15-9)21-5-7-1-3-8(4-2-7)17(19)20/h1-4,6,9H,5H2,(H,13,14,15,16,18)