N-hexadecyl-6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-hexadecyl-6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-amine Openeye Name: N-hexadecyl-6-(2-naphthyloxy)-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-hexadecyl-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-(2-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=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)OC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

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