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

Systemtic Name: N4-tert-butyl-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]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)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2/c1-5-6-7-13-8-10-14(11-9-13)21-16-15(23(24)25)17(20-12-19-16)22-18(2,3)4/h8-12H,5-7H2,1-4H3,(H2,19,20,21,22)