N-(4-butylphenyl)-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-(2-methoxyphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-(2-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

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