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

Systemtic Name: (2Z,4S,12aS)-2-[azanyl(oxidanyl)methylidene]-7-(butylamino)-4-(dimethylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z,4S,12aS)-2-[amino(hydroxy)methylene]-7-(butylamino)-4-(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z,4S,12aS)-2-[amino(hydroxy)methylidene]-7-(butylamino)-4-(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z,4S,12aS)-2-[amino(hydroxy)methylidene]-7-(butylamino)-4-(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z,4S,12aS)-2-[amino(hydroxy)methylene]-7-(butylamino)-4-(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C25H31N3O7 MolecularWeight: 485.52954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2CC3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C(C2=C(C=C1)O)O)O)N(C)C

Isomeric SMILES

CCCCNC1=C2CC3CC4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C(C2=C(C=C1)O)O)O)N(C)C

InChI

InChI=1S/C25H31N3O7/c1-4-5-8-27-14-6-7-15(29)17-12(14)9-11-10-13-19(28(2)3)21(31)18(24(26)34)23(33)25(13,35)22(32)16(11)20(17)30/h6-7,11,13,19,27,29-30,34-35H,4-5,8-10,26H2,1-3H3/b24-18-/t11?,13?,19-,25-/m0/s1