6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C32H50N6O4 MolecularWeight: 582.7772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C32H50N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-33-31-30(38(39)40)32(35-25-34-31)37-21-19-36(20-22-37)24-27-16-17-28-29(23-27)42-26-41-28/h16-17,23,25H,2-15,18-22,24,26H2,1H3,(H,33,34,35)