5-nitro-N-(2-piperidin-1-ylethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(2-piperidin-1-ylethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 5-nitro-N-[2-(1-piperidinyl)ethyl]-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(2-piperidin-1-ylethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCN3CCCCC3

InChI

InChI=1S/C20H27N5O3/c1-15(2)16-6-8-17(9-7-16)28-20-18(25(26)27)19(22-14-23-20)21-10-13-24-11-4-3-5-12-24/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,21,22,23)