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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-(5-chloro-2-pyridyl)-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(5-chloro-2-pyridinyl)-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-(5-chloropyridin-2-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: (5-chloro-2-pyridyl)-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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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=NC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O3/c1-11(2)12-3-6-14(7-4-12)27-18-16(24(25)26)17(21-10-22-18)23-15-8-5-13(19)9-20-15/h3-11H,1-2H3,(H,20,21,22,23)