N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-7H-purin-6-amine

Systemtic Name: N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-7H-purin-6-amine Openeye Name: N-[(E)-(5-bromo-2-methoxy-phenyl)methyleneamino]-7H-purin-6-amine CAS Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-7H-purin-6-amine IUPAC Name: N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-7H-purin-6-amine Traditional Name: [(E)-(5-bromo-2-methoxy-benzylidene)amino]-(7H-purin-6-yl)amine Formula: C13H11BrN6O MolecularWeight: 347.17004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NNC2=NC=NC3=C2NC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N/NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H11BrN6O/c1-21-10-3-2-9(14)4-8(10)5-19-20-13-11-12(16-6-15-11)17-7-18-13/h2-7H,1H3,(H2,15,16,17,18,20)/b19-5+