4-(4-ethylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-ethylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-ethylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine CAS Name: 4-(4-ethylphenoxy)-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine IUPAC Name: 4-(4-ethylphenoxy)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-ethylphenoxy)-6-(4-methylpiperazino)-5-nitro-pyrimidine Formula: C17H21N5O3 MolecularWeight: 343.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C17H21N5O3/c1-3-13-4-6-14(7-5-13)25-17-15(22(23)24)16(18-12-19-17)21-10-8-20(2)9-11-21/h4-7,12H,3,8-11H2,1-2H3