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

Systemtic Name: 6-(benzimidazol-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzimidazol-1-yl)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzimidazolyl)-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzimidazol-1-yl)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: [6-(benzimidazol-1-yl)-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C27H40N6O2 MolecularWeight: 480.6455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C=NC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C=NC3=CC=CC=C32

InChI

InChI=1S/C27H40N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-26-25(33(34)35)27(30-21-29-26)32-22-31-23-18-15-16-19-24(23)32/h15-16,18-19,21-22H,2-14,17,20H2,1H3,(H,28,29,30)