6-isocyano-9-(phenylmethyl)purine

Systemtic Name: 6-isocyano-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-isocyano-purine CAS Name: 6-isocyano-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-isocyanopurine Traditional Name: 9-benzyl-6-isocyano-purine Formula: C13H9N5 MolecularWeight: 235.24406

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

[C-]#[N+]C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C13H9N5/c1-14-12-11-13(16-8-15-12)18(9-17-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2