N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]quinolin-5-amine

Systemtic Name: N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C22H19N5O3 MolecularWeight: 401.41796

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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=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C22H19N5O3/c1-14(2)15-8-10-16(11-9-15)30-22-20(27(28)29)21(24-13-25-22)26-19-7-3-6-18-17(19)5-4-12-23-18/h3-14H,1-2H3,(H,24,25,26)