NSC77424

Molecular Formula: C31H22N8O13S


InChI: InChI=1/C31H22N8O13S/c32-31-34-25-22(26(53)35-31)33-14-36(25)27-24(52-30(42)17-5-11-20(12-6-17)39(47)48)23(51-29(41)16-3-9-19(10-4-16)38(45)46)21(50-27)13-49-28(40)15-1-7-18(8-2-15)37(43)44/h1-12,14,21,23-24,27H,13H2,(H3,32,34,35,53)/f/h34H,32H2

InChIKey: InChIKey=ROOCKCSKNKTVSV-DQOMNOODCV
SMILES: C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=S)N)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

Names:
    Guanosine, 6-thio-, 2',3',5'-tris (4-nitrobenzoate)
    NSC77424
    9H-Purine-6-thiol, 2-amino-9-.beta.-D-ribofuranosyl-, 2',3', 5'-tris(p-nitrobenzoate), monohydrate
    [2-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-(4-nitrobenzoyl)oxy-5-[(4-nitrobenzoyl)oxymethyl]oxolan-3-yl] 4-nitrobenzoate

Registries:
    PubChem CID 4019887
    PubChem ID 118261