N4-ethyl-N6-hexadecyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N6-hexadecyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-hexadecyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-hexadecyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-hexadecyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(cetylamino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C29H47N5O2 MolecularWeight: 497.71578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H47N5O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-30-28-27(34(35)36)29(32-24-31-28)33(5-2)26-21-19-20-25(3)23-26/h19-21,23-24H,4-18,22H2,1-3H3,(H,30,31,32)