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

Systemtic Name: 1-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione Openeye Name: 1-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione CAS Name: 1-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione IUPAC Name: 1-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]anthracene-9,10-dione Traditional Name: 1-[(8-methoxy-5H-pyrimid[5,4-b]indol-4-yl)amino]-9,10-anthraquinone Formula: C25H16N4O3 MolecularWeight: 420.41954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN=C3NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN=C3NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C25H16N4O3/c1-32-13-9-10-18-17(11-13)21-22(28-18)25(27-12-26-21)29-19-8-4-7-16-20(19)24(31)15-6-3-2-5-14(15)23(16)30/h2-12,28H,1H3,(H,26,27,29)