5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-(4-phenylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-benzylpiperazino)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C25H29N7O2 MolecularWeight: 459.54346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N7O2/c33-32(34)23-24(30-13-11-28(12-14-30)19-21-7-3-1-4-8-21)26-20-27-25(23)31-17-15-29(16-18-31)22-9-5-2-6-10-22/h1-10,20H,11-19H2