4-(4-ethylphenoxy)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidine

Systemtic Name: 4-(4-ethylphenoxy)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidine Openeye Name: 4-(4-ethylphenoxy)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidine CAS Name: 4-(4-ethylphenoxy)-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine IUPAC Name: 4-(4-ethylphenoxy)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidine Traditional Name: 4-(4-ethylphenoxy)-6-(3-methylpiperidino)-5-nitro-pyrimidine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

InChI

InChI=1S/C18H22N4O3/c1-3-14-6-8-15(9-7-14)25-18-16(22(23)24)17(19-12-20-18)21-10-4-5-13(2)11-21/h6-9,12-13H,3-5,10-11H2,1-2H3