5-nitro-4-piperidin-1-yl-6-(4-propan-2-ylphenoxy)pyrimidine

Systemtic Name: 5-nitro-4-piperidin-1-yl-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-(4-isopropylphenoxy)-5-nitro-6-(1-piperidyl)pyrimidine CAS Name: 5-nitro-4-(1-piperidinyl)-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 5-nitro-4-piperidin-1-yl-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-(4-isopropylphenoxy)-5-nitro-6-piperidino-pyrimidine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

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