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

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

Isomeric SMILES

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

InChI

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