5-nitro-N,N-bis(phenylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: 5-nitro-N,N-bis(phenylmethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N,N-dibenzyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: 5-nitro-N,N-bis(phenylmethyl)-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: dibenzyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C28H28N6O2 MolecularWeight: 480.56092

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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)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N6O2/c35-34(36)26-27(32-18-16-31(17-19-32)25-14-8-3-9-15-25)29-22-30-28(26)33(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24/h1-15,22H,16-21H2