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

Systemtic Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-pyridin-3-yl-pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-(3-pyridyl)pyrimidin-4-amine CAS Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-(3-pyridinyl)-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-pyridin-3-ylpyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(3-pyridyl)amine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

InChI

InChI=1S/C18H17N5O3/c1-12(2)13-5-7-15(8-6-13)26-18-16(23(24)25)17(20-11-21-18)22-14-4-3-9-19-10-14/h3-12H,1-2H3,(H,20,21,22)