N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-9-(phenylmethyl)purin-6-amine

Systemtic Name: N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-N-[(E)-(6-methoxy-2-quinolyl)methyleneamino]purin-6-amine CAS Name: N-[(E)-(6-methoxy-2-quinolinyl)methylideneamino]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]purin-6-amine Traditional Name: (9-benzylpurin-6-yl)-[(E)-(6-methoxy-2-quinolyl)methyleneamino]amine Formula: C23H19N7O MolecularWeight: 409.44326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2)C=NNC3=NC=NC4=C3N=CN4CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2)/C=N/NC3=NC=NC4=C3N=CN4CC5=CC=CC=C5

InChI

InChI=1S/C23H19N7O/c1-31-19-9-10-20-17(11-19)7-8-18(28-20)12-27-29-22-21-23(25-14-24-22)30(15-26-21)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,24,25,29)/b27-12+