1-[4-[[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[6-[(4-butoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-(4-butoxyanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(4-butoxyanilino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H23N5O4/c1-3-4-13-31-19-11-9-18(10-12-19)26-22-20(27(29)30)21(23-14-24-22)25-17-7-5-16(6-8-17)15(2)28/h5-12,14H,3-4,13H2,1-2H3,(H2,23,24,25,26)