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

Systemtic Name: N-(4-butoxyphenyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4/c1-4-5-14-30-19-12-8-18(9-13-19)26-22-21(27(28)29)23(25-15-24-22)31-20-10-6-17(7-11-20)16(2)3/h6-13,15-16H,4-5,14H2,1-3H3,(H,24,25,26)