2-(2-nitrophenyl)sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-(2-nitrophenyl)sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-(2-nitrophenyl)sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[(2-nitrophenyl)thio]-3,7-dihydropurin-6-one IUPAC Name: 2-(2-nitrophenyl)sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[(2-nitrophenyl)thio]-3,7-dihydropurin-6-one Formula: C11H7N5O3S MolecularWeight: 289.26998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C11H7N5O3S/c17-10-8-9(13-5-12-8)14-11(15-10)20-7-4-2-1-3-6(7)16(18)19/h1-5H,(H2,12,13,14,15,17)