6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-N-(4-isopropylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-p-cumenyl-amine Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H21ClN4O3/c1-12(2)15-5-7-16(8-6-15)25-20-19(26(27)28)21(24-11-23-20)29-17-9-13(3)18(22)14(4)10-17/h5-12H,1-4H3,(H,23,24,25)