N-[(5-nitrofuran-2-yl)methylideneamino]-9-(phenylmethyl)purin-6-amine

Systemtic Name: N-[(5-nitrofuran-2-yl)methylideneamino]-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-N-[(5-nitro-2-furyl)methyleneamino]purin-6-amine CAS Name: N-[(5-nitro-2-furanyl)methylideneamino]-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-N-[(5-nitrofuran-2-yl)methylideneamino]purin-6-amine Traditional Name: (9-benzylpurin-6-yl)-[(5-nitro-2-furyl)methyleneamino]amine Formula: C17H13N7O3 MolecularWeight: 363.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3NN=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3NN=CC4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O3/c25-24(26)14-7-6-13(27-14)8-21-22-16-15-17(19-10-18-16)23(11-20-15)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,18,19,22)