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

Systemtic Name: 5-nitro-4-[4-(phenylmethyl)piperidin-1-yl]-6-(4-phenylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-benzyl-1-piperidyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine CAS Name: 5-nitro-4-[4-(phenylmethyl)-1-piperidinyl]-6-(4-phenyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-benzylpiperidino)-5-nitro-6-(4-phenylpiperazino)pyrimidine Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O2/c33-32(34)24-25(30-13-11-22(12-14-30)19-21-7-3-1-4-8-21)27-20-28-26(24)31-17-15-29(16-18-31)23-9-5-2-6-10-23/h1-10,20,22H,11-19H2