N-hexadecyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-hexadecyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-hexadecyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-hexadecyl-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-hexadecyl-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: cetyl-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C30H48N6O2 MolecularWeight: 524.74112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-31-29-28(36(37)38)30(33-26-32-29)35-24-22-34(23-25-35)27-19-16-15-17-20-27/h15-17,19-20,26H,2-14,18,21-25H2,1H3,(H,31,32,33)