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

Systemtic Name: N-[6-[bis(azanyl)methylideneamino]pyridin-3-yl]-4-bromanyl-3-oxidanyl-anthracene-2-carboxamide Openeye Name: 4-bromo-N-(6-guanidino-3-pyridyl)-3-hydroxy-anthracene-2-carboxamide CAS Name: 4-bromo-N-[6-(diaminomethylideneamino)-3-pyridinyl]-3-hydroxy-2-anthracenecarboxamide IUPAC Name: 4-bromo-N-[6-(diaminomethylideneamino)pyridin-3-yl]-3-hydroxyanthracene-2-carboxamide Traditional Name: 4-bromo-N-(6-guanidino-3-pyridyl)-3-hydroxy-anthracene-2-carboxamide Formula: C21H16BrN5O2 MolecularWeight: 450.28804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=C(C(=C3Br)O)C(=O)NC4=CN=C(C=C4)N=C(N)N

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=C(C(=C3Br)O)C(=O)NC4=CN=C(C=C4)N=C(N)N

InChI

InChI=1S/C21H16BrN5O2/c22-18-15-8-12-4-2-1-3-11(12)7-13(15)9-16(19(18)28)20(29)26-14-5-6-17(25-10-14)27-21(23)24/h1-10,28H,(H,26,29)(H4,23,24,25,27)