6-(4-ethylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-ethylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-ethylphenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-ethylphenoxy)-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-ethylphenoxy)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C16H20N4O4 MolecularWeight: 332.3544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCOC

InChI

InChI=1S/C16H20N4O4/c1-3-12-5-7-13(8-6-12)24-16-14(20(21)22)15(18-11-19-16)17-9-4-10-23-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,19)