1-[(9E)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]-3-(3-methylbutyl)urea

Systemtic Name: 1-[(9E)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-1,6,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]-3-(3-methylbutyl)urea Openeye Name: 1-[(9E)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,12-trihydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]-3-isopentyl-urea CAS Name: 1-[(9E)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,12-trihydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]-3-(3-methylbutyl)urea IUPAC Name: 1-[(9E)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-1,6,12-trihydroxy-5-methyl-8,10,11-trioxo-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]-3-(3-methylbutyl)urea Traditional Name: 1-[(9E)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-1,6,12-trihydroxy-8,10,11-triketo-5-methyl-5,5a,6,6a,7,10a-hexahydrotetracen-2-yl]-3-isoamyl-urea Formula: C28H36N4O8 MolecularWeight: 556.60744

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)NCCC(C)C)O)C(=O)C(=C(N)O)C(=O)C3N(C)C)O

Isomeric SMILES

CC1C2C(C3C(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)NCCC(C)C)O)C(=O)/C(=C(/N)\O)/C(=O)C3N(C)C)O

InChI

InChI=1S/C28H36N4O8/c1-10(2)8-9-30-28(40)31-13-7-6-12-11(3)14-17(23(35)15(12)21(13)33)24(36)18-16(22(14)34)20(32(4)5)26(38)19(25(18)37)27(29)39/h6-7,10-11,14,16,18,20,22,33-35,39H,8-9,29H2,1-5H3,(H2,30,31,40)/b27-19+