N-cyclopentyl-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopentyl-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopentyl-6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopentyl-6-(4-ethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopentyl-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: cyclopentyl-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3

InChI

InChI=1S/C17H20N4O3/c1-2-12-7-9-14(10-8-12)24-17-15(21(22)23)16(18-11-19-17)20-13-5-3-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19,20)