(2Z,4R,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-10,11,12a-tris(oxidanyl)-7-[2-(pyrimidin-4-ylamino)ethanoyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2Z,4R,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-10,11,12a-tris(oxidanyl)-7-[2-(pyrimidin-4-ylamino)ethanoyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z,4R,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(pyrimidin-4-ylamino)acetyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z,4R,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[1-oxo-2-(4-pyrimidinylamino)ethyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z,4R,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(pyrimidin-4-ylamino)acetyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z,4R,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(4-pyrimidylamino)acetyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C27H27N5O8 MolecularWeight: 549.53198

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)C(=O)CNC5=NC=NC=C5

Isomeric SMILES

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)C(=O)CNC5=NC=NC=C5

InChI

InChI=1S/C27H27N5O8/c1-32(2)21-14-8-11-7-13-12(16(34)9-30-17-5-6-29-10-31-17)3-4-15(33)19(13)22(35)18(11)24(37)27(14,40)25(38)20(23(21)36)26(28)39/h3-6,10-11,14,21,33,35,39-40H,7-9,28H2,1-2H3,(H,29,30,31)/b26-20-/t11-,14-,21+,27-/m0/s1