6-(benzotriazol-1-yl)-N-butyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-butyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-butyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-butyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-butyl-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-butyl-amine Formula: C14H15N7O2 MolecularWeight: 313.3146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H15N7O2/c1-2-3-8-15-13-12(21(22)23)14(17-9-16-13)20-11-7-5-4-6-10(11)18-19-20/h4-7,9H,2-3,8H2,1H3,(H,15,16,17)