(2E,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine

Systemtic Name: (2E,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine Openeye Name: (2E,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine CAS Name: (2E,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine IUPAC Name: (2E,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine Traditional Name: (2E,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine Formula: C35H40ClN7O7 MolecularWeight: 706.1878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)N(C)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O)N(C)C

InChI

InChI=1S/C23H27N3O7.C12H13ClN4/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h5-6,9,11,17,27-28,32-33H,7-8,24H2,1-4H3;3-6H,2H2,1H3,(H4,14,15,16,17)/b22-16+;/t9-,11-,17-,23-;/m0./s1