AIDS-122554

Molecular Formula: C30H46N12O4S4+2


InChI: InChI=1/C30H46N12O4S4/c1-5-35(6-2)29(47)49-27-23(39(43)44)25(31-21-33-27)37-9-13-41(14-10-37)17-19-42(20-18-41)15-11-38(12-16-42)26-24(40(45)46)28(34-22-32-26)50-30(48)36(7-3)8-4/h21-22H,5-20H2,1-4H3/q+2

InChIKey: InChIKey=LKOVRLPIYFDTRT-UHFFFAOYAH
SMILES: CCN(CC)C(=S)SC1=NC=NC(=C1[N+](=O)[O-])N2CC[N+]3(CC2)CC[N+]4(CCN(CC4)C5=C(C(=NC=N5)SC(=S)N(CC)CC)[N+](=O)[O-])CC3

Names:
    AIDS-122554
    AIDS122554
    (Diethylamino)[6-(12-{6-[(diethylamino)thioxomethylthio]-5-nitropyrimidin-4-yl
    1-[6-[12-[6-(diethylthiocarbamoylsulfanyl)-5-nitro-pyrimidin-4-yl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-5-nitro-pyrimidin-4-yl]sulfanyl-N,N-diethyl-methanethioamide

Registries:
    PubChem CID 493185
    PubChem ID 218945