5-nitro-N,N-bis(phenylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 5-nitro-N,N-bis(phenylmethyl)-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-N,N-bis(phenylmethyl)-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C29H30N6O2 MolecularWeight: 494.5875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H30N6O2/c36-35(37)27-28(33-18-16-32(17-19-33)20-24-10-4-1-5-11-24)30-23-31-29(27)34(21-25-12-6-2-7-13-25)22-26-14-8-3-9-15-26/h1-15,23H,16-22H2