N-hexadecyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-hexadecyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-hexadecyl-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-hexadecyl-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-hexadecyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: cetyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C29H46N4O3 MolecularWeight: 498.70054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-28-27(33(34)35)29(32-23-31-28)36-26-20-18-25(19-21-26)24(2)3/h18-21,23-24H,4-17,22H2,1-3H3,(H,30,31,32)