N4-(4-butoxyphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butoxyphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]-cetyl-amine Formula: C30H49N5O3 MolecularWeight: 527.74176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C30H49N5O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-31-29-28(35(36)37)30(33-25-32-29)34-26-19-21-27(22-20-26)38-24-6-4-2/h19-22,25H,3-18,23-24H2,1-2H3,(H2,31,32,33,34)