N2-[2-(4-chloranylphenoxy)ethyl]-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[2-(4-chloranylphenoxy)ethyl]-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[2-(4-chlorophenoxy)ethyl]-N4-cyclopropyl-N2-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[2-(4-chlorophenoxy)ethyl]-N4-cyclopropyl-N2-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[2-(4-chlorophenoxy)ethyl]-4-N-cyclopropyl-2-N-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: 2-(4-chlorophenoxy)ethyl-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-methyl-amine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Cl)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Cl)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN5O3/c1-21(8-9-25-13-6-2-11(17)3-7-13)16-18-10-14(22(23)24)15(20-16)19-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19,20)