N-tert-butyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-tert-butyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-tert-butyl-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-tert-butyl-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-tert-butyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: tert-butyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-11(2)12-6-8-13(9-7-12)24-16-14(21(22)23)15(18-10-19-16)20-17(3,4)5/h6-11H,1-5H3,(H,18,19,20)