8-(4-nitrophenyl)-2-sulfanylidene-3,7-dihydropurin-6-one

Systemtic Name: 8-(4-nitrophenyl)-2-sulfanylidene-3,7-dihydropurin-6-one Openeye Name: 8-(4-nitrophenyl)-2-thioxo-3,7-dihydropurin-6-one CAS Name: 8-(4-nitrophenyl)-2-sulfanylidene-3,7-dihydropurin-6-one IUPAC Name: 8-(4-nitrophenyl)-2-sulfanylidene-3,7-dihydropurin-6-one Traditional Name: 8-(4-nitrophenyl)-2-thioxo-3,7-dihydropurin-6-one Formula: C11H7N5O3S MolecularWeight: 289.26998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC(=S)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC(=S)N3)[N+](=O)[O-]

InChI

InChI=1S/C11H7N5O3S/c17-10-7-9(14-11(20)15-10)13-8(12-7)5-1-3-6(4-2-5)16(18)19/h1-4H,(H3,12,13,14,15,17,20)