9-(phenylmethyl)-N-[(E)-quinolin-4-ylmethylideneamino]purin-6-amine

Systemtic Name: 9-(phenylmethyl)-N-[(E)-quinolin-4-ylmethylideneamino]purin-6-amine Openeye Name: 9-benzyl-N-[(E)-4-quinolylmethyleneamino]purin-6-amine CAS Name: 9-(phenylmethyl)-N-[(E)-4-quinolinylmethylideneamino]-6-purinamine IUPAC Name: 9-benzyl-N-[(E)-quinolin-4-ylmethylideneamino]purin-6-amine Traditional Name: (9-benzylpurin-6-yl)-[(E)-4-quinolylmethyleneamino]amine Formula: C22H17N7 MolecularWeight: 379.41728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3NN=CC4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3N/N=C/C4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C22H17N7/c1-2-6-16(7-3-1)13-29-15-26-20-21(24-14-25-22(20)29)28-27-12-17-10-11-23-19-9-5-4-8-18(17)19/h1-12,14-15H,13H2,(H,24,25,28)/b27-12+