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

Systemtic Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-propyl-pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-propyl-pyrimidin-4-amine CAS Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-propyl-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-propyl-amine Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)OC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)OC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-4-9-17-15-14(20(21)22)16(19-10-18-15)23-13-7-5-12(6-8-13)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,17,18,19)