1-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione

Systemtic Name: 1-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione Openeye Name: 1-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione CAS Name: 1-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione IUPAC Name: 1-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione Traditional Name: 1-[(7,8-dimethoxy-5H-pyrimid[5,4-b]indol-4-yl)amino]-9,10-anthraquinone Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)OC

InChI

InChI=1S/C26H18N4O4/c1-33-19-10-16-18(11-20(19)34-2)29-23-22(16)27-12-28-26(23)30-17-9-5-8-15-21(17)25(32)14-7-4-3-6-13(14)24(15)31/h3-12,29H,1-2H3,(H,27,28,30)