5-nitro-6-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C19H19N5O3/c1-13(2)15-5-7-16(8-6-15)27-19-17(24(25)26)18(22-12-23-19)21-11-14-4-3-9-20-10-14/h3-10,12-13H,11H2,1-2H3,(H,21,22,23)