1-[[(9E)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]-3-(1,3-benzodioxol-5-yl)urea

Systemtic Name: 1-[[(9E)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]-3-(1,3-benzodioxol-5-yl)urea Openeye Name: 1-[[(9E)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]-3-(1,3-benzodioxol-5-yl)urea CAS Name: 1-[[(9E)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]-3-(1,3-benzodioxol-5-yl)urea IUPAC Name: 1-[[(9E)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]-3-(1,3-benzodioxol-5-yl)urea Traditional Name: 1-[[(9E)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]-3-(1,3-benzodioxol-5-yl)urea Formula: C32H35N5O10 MolecularWeight: 649.6478

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)CNC(=O)NC5=CC6=C(C=C5)OCO6)N(C)C

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O)CNC(=O)NC5=CC6=C(C=C5)OCO6)N(C)C

InChI

InChI=1S/C32H35N5O10/c1-36(2)18-9-14(11-34-31(44)35-15-5-6-19-20(10-15)47-12-46-19)25(38)22-16(18)7-13-8-17-24(37(3)4)27(40)23(30(33)43)29(42)32(17,45)28(41)21(13)26(22)39/h5-6,9-10,13,17,24,38-39,43,45H,7-8,11-12,33H2,1-4H3,(H2,34,35,44)/b30-23+