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

Systemtic Name: N4-(4-butylphenyl)-N6-ethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-butylphenyl)-N6-ethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-butylphenyl)-N6-ethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-ethyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2/c1-3-5-6-12-7-9-13(10-8-12)20-16-14(21(22)23)15(17-4-2)18-11-19-16/h7-11H,3-6H2,1-2H3,(H2,17,18,19,20)