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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C14H17N5O2/c1-2-3-4-10-5-7-11(8-6-10)18-14-12(19(20)21)13(15)16-9-17-14/h5-9H,2-4H2,1H3,(H3,15,16,17,18)