N4-butyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-butyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-butyl-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-butyl-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-butyl-phenyl-amine Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C14H17N5O2/c1-2-3-9-18(11-7-5-4-6-8-11)14-12(19(20)21)13(15)16-10-17-14/h4-8,10H,2-3,9H2,1H3,(H2,15,16,17)