N-(3-morpholin-4-ylpropyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-N-(3-morpholinopropyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[3-(4-morpholinyl)propyl]-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-morpholinopropyl)amine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

InChI

InChI=1S/C20H27N5O4/c1-15(2)16-4-6-17(7-5-16)29-20-18(25(26)27)19(22-14-23-20)21-8-3-9-24-10-12-28-13-11-24/h4-7,14-15H,3,8-13H2,1-2H3,(H,21,22,23)