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

Systemtic Name: N6-(4-butylphenyl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-N4,N4-diethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-N4,N4-diethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-butylphenyl)-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-diethyl-amine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2/c1-4-7-8-14-9-11-15(12-10-14)21-17-16(23(24)25)18(20-13-19-17)22(5-2)6-3/h9-13H,4-8H2,1-3H3,(H,19,20,21)