5-nitro-N-(phenylmethyl)-6-(4-phenylpiperazin-1-yl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(phenylmethyl)-6-(4-phenylpiperazin-1-yl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-5-nitro-6-(4-phenylpiperazin-1-yl)-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-6-(4-phenyl-1-piperazinyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-5-nitro-6-(4-phenylpiperazin-1-yl)-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C26H25N7O2 MolecularWeight: 467.5224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N7O2/c34-33(35)24-25(31-17-15-30(16-18-31)22-11-5-2-6-12-22)28-20-29-26(24)32(23-13-7-8-14-27-23)19-21-9-3-1-4-10-21/h1-14,20H,15-19H2