NSC67588

Molecular Formula: C₂₈H₂₈N₆O₈S

InChI: InChI=1/C28H28N6O8S/c1-27(41)10-5-4-6-13(35)15(10)20(36)16-11(27)7-12-19(34(2)3)21(37)17(23(39)28(12,42)22(16)38)25(40)29-8-14-32-18-24(33-14)30-9-31-26(18)43/h4-6,9,11-12,19,29,35-36,40-42H,7-8H2,1-3H3,(H2,30,31,32,33,43)/b25-17+/t11-,12-,19-,27+,28-/m0/s1/f/h30,32H

InChIKey: InChIKey=DOFGDSBJFKFJRK-XWTXDNLYDN
SMILES: CC1(C2CC3C(C(=O)C(=C(NCC4=NC5=C(N4)C(=S)N=CN5)O)C(=O)C3(C(=O)C2=C(C6=C1C=CC=C6O)O)O)N(C)C)O

Names:
    NSC67588
    (2E,4S,4aS,5aS,6S,12aS)-4-dimethylamino-6,10,11,12a-tetrahydroxy-2-[hydroxy-[(6-sulfanylidene-3,7-dihydropurin-8-yl)methylamino]methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
    2-Naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5, 5a,6,11,12a-pentahydroxy-N-[6-mercaptopurin-7(or 9)-ylmethyl]-6-methyl-1,11-dioxo-
    2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11, 12a-octahydro-3,6,10,12,12a-pentahydroxy-N-[(6-mercaptopurin-7(or 9)-yl)methyl]-6-methyl-1,11-dioxo-
    2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12, 12a-pentahydroxy-6-methyl-1,11-dioxo-N-[[6-thioxo-6H-purin-7(or 9)-yl]methyl]-, [4S-(4.alpha.,4a.alpha.,5a.alpha.,6.beta., 12a.alpha.)]-

Registries:
    PubChem CID 5356866
    PubChem ID 112153