N-hexadecyl-6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-(1-naphthyloxy)-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-(1-naphthalenyloxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-naphthalen-1-yloxy-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-(1-naphthoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C30H42N4O3 MolecularWeight: 506.67948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C30H42N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-31-29-28(34(35)36)30(33-24-32-29)37-27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22,24H,2-14,17,23H2,1H3,(H,31,32,33)