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

Systemtic Name: 6-[(2-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(2-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(2-nitrophenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(2-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(2-nitrobenzyl)thio]-3,7-dihydropurin-2-one Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=O)NC3=C2NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=O)NC3=C2NC=N3)[N+](=O)[O-]

InChI

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