N-[6-[bis(azanyl)methylideneamino]pyridin-3-yl]-4-methoxy-3-oxidanyl-anthracene-2-carboxamide

Systemtic Name: N-[6-[bis(azanyl)methylideneamino]pyridin-3-yl]-4-methoxy-3-oxidanyl-anthracene-2-carboxamide Openeye Name: N-(6-guanidino-3-pyridyl)-3-hydroxy-4-methoxy-anthracene-2-carboxamide CAS Name: N-[6-(diaminomethylideneamino)-3-pyridinyl]-3-hydroxy-4-methoxy-2-anthracenecarboxamide IUPAC Name: N-[6-(diaminomethylideneamino)pyridin-3-yl]-3-hydroxy-4-methoxyanthracene-2-carboxamide Traditional Name: N-(6-guanidino-3-pyridyl)-3-hydroxy-4-methoxy-anthracene-2-carboxamide Formula: C22H19N5O3 MolecularWeight: 401.41796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC2=CC3=CC=CC=C3C=C21)C(=O)NC4=CN=C(C=C4)N=C(N)N)O

Isomeric SMILES

COC1=C(C(=CC2=CC3=CC=CC=C3C=C21)C(=O)NC4=CN=C(C=C4)N=C(N)N)O

InChI

InChI=1S/C22H19N5O3/c1-30-20-16-9-13-5-3-2-4-12(13)8-14(16)10-17(19(20)28)21(29)26-15-6-7-18(25-11-15)27-22(23)24/h2-11,28H,1H3,(H,26,29)(H4,23,24,25,27)