N4-butan-2-yl-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-butan-2-yl-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-butylphenyl)-5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-N6-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-6-N-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]-sec-butyl-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)CC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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