N-(4-butoxyphenyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-(4-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H22N4O4 MolecularWeight: 394.42378

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-3-4-13-28-17-11-7-16(8-12-17)24-20-19(25(26)27)21(23-14-22-20)29-18-9-5-15(2)6-10-18/h5-12,14H,3-4,13H2,1-2H3,(H,22,23,24)