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

Systemtic Name: 5-nitro-N,N-bis(phenylmethyl)-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: N,N-dibenzyl-6-(4-benzyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 5-nitro-N,N-bis(phenylmethyl)-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-6-(4-benzylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: dibenzyl-[6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C30H31N5O2 MolecularWeight: 493.59944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H31N5O2/c36-35(37)28-29(33-18-16-25(17-19-33)20-24-10-4-1-5-11-24)31-23-32-30(28)34(21-26-12-6-2-7-13-26)22-27-14-8-3-9-15-27/h1-15,23,25H,16-22H2