1,4-bis(oxidanyl)-5,8-bis(2-piperazin-1-ylethylamino)anthracene-9,10-dione

Systemtic Name: 1,4-bis(oxidanyl)-5,8-bis(2-piperazin-1-ylethylamino)anthracene-9,10-dione Openeye Name: 1,4-dihydroxy-5,8-bis(2-piperazin-1-ylethylamino)anthracene-9,10-dione CAS Name: 1,4-dihydroxy-5,8-bis[2-(1-piperazinyl)ethylamino]anthracene-9,10-dione IUPAC Name: 1,4-dihydroxy-5,8-bis(2-piperazin-1-ylethylamino)anthracene-9,10-dione Traditional Name: 1,4-dihydroxy-5,8-bis(2-piperazinoethylamino)-9,10-anthraquinone Formula: C26H34N6O4 MolecularWeight: 494.58596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC2=C3C(=C(C=C2)NCCN4CCNCC4)C(=O)C5=C(C=CC(=C5C3=O)O)O

Isomeric SMILES

C1CN(CCN1)CCNC2=C3C(=C(C=C2)NCCN4CCNCC4)C(=O)C5=C(C=CC(=C5C3=O)O)O

InChI

InChI=1S/C26H34N6O4/c33-19-3-4-20(34)24-23(19)25(35)21-17(29-9-15-31-11-5-27-6-12-31)1-2-18(22(21)26(24)36)30-10-16-32-13-7-28-8-14-32/h1-4,27-30,33-34H,5-16H2