N-(4-butylphenyl)-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O3/c1-3-4-5-15-6-8-16(9-7-15)25-20-19(26(27)28)21(24-13-23-20)29-17-10-11-18(22)14(2)12-17/h6-13H,3-5H2,1-2H3,(H,23,24,25)