3-nitro-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-nitro-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-nitro-5-phenyl-N-(3-pyridylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-nitro-5-phenyl-N-(3-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-nitro-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: (3-nitro-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)-(3-pyridylmethyl)amine Formula: C18H14N6O2 MolecularWeight: 346.34276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O2/c25-24(26)16-12-21-23-17(20-11-13-5-4-8-19-10-13)9-15(22-18(16)23)14-6-2-1-3-7-14/h1-10,12,20H,11H2