(2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-10,12a-bis(oxidanyl)-4,4a,5,5a,6,11a-hexahydrotetracene-1,3,11,12-tetrone

Systemtic Name: (2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-10,12a-bis(oxidanyl)-4,4a,5,5a,6,11a-hexahydrotetracene-1,3,11,12-tetrone Openeye Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-10,12a-dihydroxy-4,4a,5,5a,6,11a-hexahydrotetracene-1,3,11,12-tetrone CAS Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-10,12a-dihydroxy-4,4a,5,5a,6,11a-hexahydrotetracene-1,3,11,12-tetrone IUPAC Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-10,12a-dihydroxy-4,4a,5,5a,6,11a-hexahydrotetracene-1,3,11,12-tetrone Traditional Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,12a-dihydroxy-9-[(neopentylamino)methyl]-4,4a,5,5a,6,11a-hexahydrotetracene-1,3,11,12-diquinone Formula: C29H40N4O7 MolecularWeight: 556.6505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNCC1=CC(=C2CC3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3C(=O)C2=C1O)O)N(C)C)N(C)C

Isomeric SMILES

CC(C)(C)CNCC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3C(=O)C2=C1O)O)N(C)C)N(C)C

InChI

InChI=1S/C29H40N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,18,21,31,34,39-40H,8-9,11-12,30H2,1-7H3/b27-20-/t13-,16-,18?,21-,29-/m0/s1