N4-butyl-N6-(4-butylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-N6-(4-butylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(4-butylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(4-butylphenyl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(4-butylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C19H27N5O2 MolecularWeight: 357.44998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CCCC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O2/c1-4-6-8-15-9-11-16(12-10-15)22-18-17(24(25)26)19(21-14-20-18)23(3)13-7-5-2/h9-12,14H,4-8,13H2,1-3H3,(H,20,21,22)