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

Systemtic Name: N-butyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-butyl-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-butyl-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: 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:

CCCCNC1=C(C(=NC=N1)OC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)OC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-4-5-10-18-16-15(21(22)23)17(20-11-19-16)24-14-8-6-13(7-9-14)12(2)3/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,19,20)