6-(3,4-dimethylphenoxy)-N-hexadecyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-N-hexadecyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dimethylphenoxy)-N-hexadecyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-N-hexadecyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dimethylphenoxy)-N-hexadecyl-5-nitropyrimidin-4-amine Traditional Name: cetyl-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C28H44N4O3 MolecularWeight: 484.67396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-27-26(32(33)34)28(31-22-30-27)35-25-19-18-23(2)24(3)21-25/h18-19,21-22H,4-17,20H2,1-3H3,(H,29,30,31)