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

Systemtic Name: N-(4-butoxyphenyl)-6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H21ClN4O4 MolecularWeight: 428.86884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O4/c1-3-4-11-29-16-7-5-15(6-8-16)25-20-19(26(27)28)21(24-13-23-20)30-17-9-10-18(22)14(2)12-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24,25)