6-[4-(diphenylmethyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C37H54N6O2 MolecularWeight: 614.86366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C37H54N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-38-36-35(43(44)45)37(40-31-39-36)42-29-27-41(28-30-42)34(32-22-17-15-18-23-32)33-24-19-16-20-25-33/h15-20,22-25,31,34H,2-14,21,26-30H2,1H3,(H,38,39,40)