N-(3-methylbutyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-methylbutyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-isopentyl-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methylbutyl)-6-(4-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-methylbutyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: isoamyl-[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C

InChI

InChI=1S/C16H20N4O3/c1-11(2)8-9-17-15-14(20(21)22)16(19-10-18-15)23-13-6-4-12(3)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)