2-chloranyl-N-[(E)-(phenylmethylidene)amino]-7H-purin-6-amine

Systemtic Name: 2-chloranyl-N-[(E)-(phenylmethylidene)amino]-7H-purin-6-amine Openeye Name: N-[(E)-benzylideneamino]-2-chloro-7H-purin-6-amine CAS Name: 2-chloro-N-[(E)-(phenylmethylene)amino]-7H-purin-6-amine IUPAC Name: N-[(E)-benzylideneamino]-2-chloro-7H-purin-6-amine Traditional Name: [(E)-benzalamino]-(2-chloro-7H-purin-6-yl)amine Formula: C12H9ClN6 MolecularWeight: 272.69306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=NNC2=NC(=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=N/NC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C12H9ClN6/c13-12-17-10-9(14-7-15-10)11(18-12)19-16-6-8-4-2-1-3-5-8/h1-7H,(H2,14,15,17,18,19)/b16-6+